data_1pon_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 1pon _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.256 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.062 0.458 . . . . 0.0 111.971 . . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.632 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 3.8 tt0 -73.98 -45.29 51.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.971 -1.081 . . . . 0.0 113.848 -154.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.48 -30.91 17.94 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -176.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.79 -25.58 67.31 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.028 0.931 . . . . 0.0 111.762 159.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -64.19 -71.36 0.18 Allowed 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 166.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -44.75 -37.23 3.63 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.266 -0.896 . . . . 0.0 113.281 171.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.77 83.27 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.762 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 88.4 t80 -72.09 -29.48 64.15 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.804 0.842 . . . . 0.0 112.084 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -79.93 -35.82 37.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.172 -0.955 . . . . 0.0 112.974 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -61.84 -35.88 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 110.298 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.52 -42.55 74.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.24 -0.913 . . . . 0.0 110.427 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -71.65 135.0 46.72 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.262 -0.899 . . . . 0.0 112.805 -164.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -68.96 -76.47 0.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.936 . . . . 0.0 109.302 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -104.86 -20.87 13.44 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.59 54.26 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 157.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -73.64 -20.96 60.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.274 -0.891 . . . . 0.0 112.731 155.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.47 -5.52 5.91 Favored Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.143 -0.973 . . . . 0.0 115.401 165.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -114.24 164.85 13.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.177 -1.19 . . . . 0.0 111.704 -168.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.83 139.14 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 C-N-CA 123.902 0.881 . . . . 0.0 110.19 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -117.81 162.08 18.67 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.119 0.968 . . . . 0.0 112.684 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -25.76 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -75.35 -36.27 61.03 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.979 -1.076 . . . . 0.0 113.783 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.543 ' O ' HD13 ' A' ' 30' ' ' ILE . 88.2 mt-10 -67.85 -33.24 74.37 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 171.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.553 ' HA ' HD11 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -69.97 -45.29 67.68 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.164 -0.96 . . . . 0.0 111.833 -158.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.15 21.09 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.144 -0.972 . . . . 0.0 115.128 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.42 -30.18 70.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.304 -1.115 . . . . 0.0 113.884 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 27' ' ' LEU . 4.3 mp -58.53 -54.66 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.226 -0.921 . . . . 0.0 110.237 162.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -73.72 6.96 2.76 Favored 'General case' 0 CA--C 1.574 1.882 0 O-C-N 121.146 -0.972 . . . . 0.0 111.719 -177.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -71.81 0.47 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.98 -1.075 . . . . 0.0 111.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.876 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -154.56 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -68.45 -39.81 81.33 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.9 -51.4 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.243 -0.911 . . . . 0.0 112.675 166.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.07 -41.51 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.101 -0.999 . . . . 0.0 110.163 170.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -35.69 81.63 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.3 -27.44 60.71 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.039 0.936 . . . . 0.0 112.672 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -43.18 32.45 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.558 ' HE1' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -62.87 -28.08 69.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.105 -0.997 . . . . 0.0 112.102 167.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -88.4 -29.97 19.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.275 -0.891 . . . . 0.0 110.011 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -67.14 -55.86 12.41 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.133 -0.979 . . . . 0.0 112.455 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -26.82 60.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -0.964 . . . . 0.0 112.894 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.11 163.11 26.91 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.201 -0.937 . . . . 0.0 112.675 164.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.17 -60.5 0.53 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.143 -0.973 . . . . 0.0 109.86 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -71.46 -4.6 27.42 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.7 43.75 7.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.967 -1.083 . . . . 0.0 113.27 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.73 67.75 2.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.225 -0.922 . . . . 0.0 112.581 154.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.59 -6.0 0.1 OUTLIER Glycine 0 CA--C 1.572 3.618 0 N-CA-C 115.633 1.013 . . . . 0.0 115.633 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 141.31 48.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 114.008 155.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.955 HG22 ' HB2' ' B' ' 62' ' ' GLU . 63.1 mt -109.66 135.97 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 C-N-CA 123.979 0.911 . . . . 0.0 110.326 -167.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -105.18 176.24 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.903 -1.123 . . . . 0.0 112.882 165.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.574 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -63.57 -24.61 67.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.689 -1.257 . . . . 0.0 112.138 -168.383 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -83.13 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.149 0 CA-C-O 124.998 2.332 . . . . 0.0 111.3 163.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.955 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.3 mm-40 -25.23 -39.8 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 113.649 -1.614 . . . . 0.0 113.735 165.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.762 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 60.0 t80 -61.03 -49.39 77.59 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.3 -0.875 . . . . 0.0 111.808 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.97 -32.58 66.2 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.407 1.083 . . . . 0.0 111.947 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -97.72 -37.98 9.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 109.692 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.8 ttp -56.78 -28.69 61.7 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 167.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -75.93 -70.33 0.44 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.119 0.968 . . . . 0.0 110.597 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -175.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.254 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 . . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -45.14 75.03 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.396 -1.44 . . . . 0.0 113.845 -162.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.23 -47.65 27.13 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -27.92 68.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -0.883 . . . . 0.0 111.765 169.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -63.04 -63.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 171.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -39.25 -64.67 0.44 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.195 -0.941 . . . . 0.0 113.296 161.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.65 38.64 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.737 ' HE1' HG13 ' A' ' 22' ' ' ILE . 13.5 t80 -75.2 -39.49 60.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.236 -0.915 . . . . 0.0 112.105 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -76.46 -31.22 57.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.212 -0.93 . . . . 0.0 112.944 173.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mm -65.41 -41.38 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 123.998 0.919 . . . . 0.0 110.319 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -61.09 -61.52 2.51 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.37 90.23 0.15 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.252 -0.905 . . . . 0.0 112.779 174.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -26.97 68.4 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.142 -0.974 . . . . 0.0 109.202 -161.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.24 -46.5 10.29 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 79.04 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 157.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -23.86 30.11 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.239 -0.913 . . . . 0.0 112.769 159.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.81 -23.26 1.3 Allowed Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.0 -1.062 . . . . 0.0 115.413 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -117.15 155.36 29.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.985 -1.303 . . . . 0.0 111.672 -154.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.737 HG13 ' HE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -104.77 153.47 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.049 -1.032 . . . . 0.0 110.236 158.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -115.09 167.78 10.52 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.198 -0.939 . . . . 0.0 112.651 172.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -26.45 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.205 -0.935 . . . . 0.0 110.279 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -72.29 -33.22 67.26 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.989 -1.07 . . . . 0.0 113.74 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.37 -28.75 41.94 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD22 ' A' ' 31' ' ' LEU . 6.5 tt -66.31 -44.29 83.82 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.162 -0.961 . . . . 0.0 111.873 -165.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.66 -39.21 30.06 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.098 -1.001 . . . . 0.0 115.08 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -64.24 -40.54 96.23 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.237 -1.155 . . . . 0.0 113.905 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mm -53.93 -66.74 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.22 -0.925 . . . . 0.0 110.235 165.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 27' ' ' LEU . 3.8 pp -68.18 -17.61 64.38 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.109 -0.995 . . . . 0.0 111.717 -164.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -26.13 12.53 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.189 -0.944 . . . . 0.0 110.816 -175.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.765 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -61.59 -32.06 72.15 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -75.61 -47.36 26.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.28 -0.888 . . . . 0.0 112.704 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -42.91 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.975 -1.078 . . . . 0.0 110.114 169.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.3 75.69 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.72 -51.52 69.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.277 -0.89 . . . . 0.0 112.684 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.47 -53.72 27.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.076 -1.015 . . . . 0.0 113.662 172.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.862 ' HE3' HG13 ' B' ' 58' ' ' ILE . 2.0 tpp -65.64 -53.77 36.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.795 -1.19 . . . . 0.0 112.057 -172.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.408 ' HA ' ' HB2' ' B' ' 51' ' ' ASP . 0.0 OUTLIER -59.23 -33.83 71.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.228 -0.92 . . . . 0.0 110.037 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -67.37 -33.31 74.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.516 -0.74 . . . . 0.0 112.449 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.61 20.62 17.62 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.259 -0.901 . . . . 0.0 112.895 168.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' B' ' 48' ' ' LYS . 7.0 t70 -82.73 115.48 21.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.139 -0.976 . . . . 0.0 112.669 172.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -59.83 -141.77 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.113 -0.992 . . . . 0.0 109.93 156.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -71.29 -56.43 6.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.236 -0.915 . . . . 0.0 113.219 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 68.31 122.38 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 167.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.58 43.82 1.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.127 -0.983 . . . . 0.0 112.578 154.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.03 53.56 Favored Glycine 0 CA--C 1.572 3.615 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 157.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -144.98 153.31 41.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.129 -1.218 . . . . 0.0 114.083 -156.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.973 HG22 ' HB2' ' B' ' 62' ' ' GLU . 46.0 mt -109.82 137.44 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 C-N-CA 123.903 0.881 . . . . 0.0 110.3 -165.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -112.24 178.28 4.36 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.952 -1.092 . . . . 0.0 112.833 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.415 ' CD1' ' CD2' ' A' ' 11' ' ' PHE . 2.0 t80 -57.33 -34.4 68.71 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.115 -0.991 . . . . 0.0 112.017 -166.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -84.31 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.963 2.315 . . . . 0.0 111.436 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.973 ' HB2' HG22 ' B' ' 58' ' ' ILE . 4.5 mt-10 -25.03 -36.17 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.65 1.58 . . . . 0.0 113.875 167.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.666 ' HD2' ' CD1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -61.32 -57.96 10.2 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.236 -0.915 . . . . 0.0 111.889 173.14 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.67 -20.38 21.21 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.065 0.946 . . . . 0.0 111.796 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -55.78 4.14 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.18 -0.95 . . . . 0.0 109.497 171.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' B' ' 63' ' ' PHE . 1.2 ttm -45.23 -39.52 6.45 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 mmt -75.49 -98.39 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 110.589 162.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -163.289 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 2.2 pt-20 . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.653 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 4.7 tt0 -37.13 -54.33 1.0 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -176.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.93 -35.35 13.37 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -162.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' B' ' 64' ' ' LEU . 5.2 mp -66.78 -13.32 61.34 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.042 0.937 . . . . 0.0 111.789 157.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -79.56 -54.88 5.46 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 166.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -48.24 -46.97 36.17 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.318 -0.864 . . . . 0.0 113.247 164.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.499 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -64.35 -46.26 84.22 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.65 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 1.4 t80 -67.58 -35.53 79.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.0 112.169 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 -65.75 -36.71 84.33 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.16 -0.962 . . . . 0.0 112.919 167.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.37 -32.1 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.451 1.1 . . . . 0.0 110.23 -169.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.808 ' CE2' HG22 ' A' ' 30' ' ' ILE . 54.1 m-85 -60.67 -78.27 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 162.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.06 149.36 27.92 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.1 0.96 . . . . 0.0 112.816 -162.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 7.2 mmtp -64.92 -40.68 95.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.1 -1.0 . . . . 0.0 109.226 -165.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 2.0 t-20 -119.92 -37.16 3.14 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -162.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 80.61 45.51 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.58 -11.46 59.87 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.938 0.895 . . . . 0.0 112.947 159.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' ' HD1' ' A' ' 21' ' ' TYR . . . 100.36 25.02 9.04 Favored Glycine 0 CA--C 1.571 3.581 0 O-C-N 120.872 -1.142 . . . . 0.0 115.297 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' HD1' ' O ' ' A' ' 20' ' ' GLY . 11.5 m-30 -119.82 167.05 12.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.213 -1.169 . . . . 0.0 111.674 163.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 mt -126.13 146.72 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 110.219 161.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -119.45 169.05 10.38 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.096 -1.002 . . . . 0.0 112.697 -174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -38.12 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.226 -0.921 . . . . 0.0 110.23 -177.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.02 -36.51 72.43 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.798 ' O ' HD11 ' A' ' 30' ' ' ILE . 80.0 mt-10 -80.87 -20.71 41.67 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.9 -55.94 21.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.904 . . . . 0.0 111.831 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -20.35 -64.4 0.01 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.179 -0.95 . . . . 0.0 115.224 156.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.53 -33.06 74.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.305 -1.114 . . . . 0.0 113.9 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.808 HG22 ' CE2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -57.23 -49.55 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.143 -0.973 . . . . 0.0 110.202 168.157 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.78 -34.97 5.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.314 -0.866 . . . . 0.0 111.358 168.002 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -52.33 8.78 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.34 -0.85 . . . . 0.0 110.794 -171.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.269 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.44 -33.96 76.87 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.88 -30.36 40.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.229 -0.919 . . . . 0.0 112.658 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.95 -43.92 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.216 -0.927 . . . . 0.0 110.149 165.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -46.52 72.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.472 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -62.51 -37.83 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.475 -0.766 . . . . 0.0 112.655 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.3 -45.43 84.39 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.97 6.3 42.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -0.982 . . . . 0.0 112.254 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -94.47 -36.28 11.94 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.075 0.95 . . . . 0.0 110.029 155.326 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.5 -71.15 0.22 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 0.0 112.472 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.1 m -74.58 16.6 0.26 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.232 -0.917 . . . . 0.0 113.0 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.33 130.55 39.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.183 -0.948 . . . . 0.0 112.715 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.99 -128.78 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.121 -0.987 . . . . 0.0 109.809 154.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -70.36 -44.56 67.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.919 -1.113 . . . . 0.0 113.329 167.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m120 46.12 95.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.085 -1.01 . . . . 0.0 113.34 -155.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.59 -31.85 71.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.155 -0.965 . . . . 0.0 112.678 162.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.48 -56.37 0.02 OUTLIER Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.215 -0.928 . . . . 0.0 115.18 161.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -125.97 -175.62 3.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.298 -1.119 . . . . 0.0 113.916 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.97 HG22 ' HB2' ' B' ' 62' ' ' GLU . 21.8 mt -108.34 144.6 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 C-N-CA 123.85 0.86 . . . . 0.0 110.262 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -117.07 -168.88 1.55 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.239 1.016 . . . . 0.0 112.773 163.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.537 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -65.49 -30.59 71.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.089 -1.007 . . . . 0.0 112.098 -173.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.45 -83.35 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.939 2.304 . . . . 0.0 111.417 165.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.97 ' HB2' HG22 ' B' ' 58' ' ' ILE . 6.3 mm-40 -24.62 -39.76 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.65 -1.614 . . . . 0.0 113.635 165.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.65 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 59.8 t80 -62.34 -49.65 74.76 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.412 -0.805 . . . . 0.0 112.069 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.552 ' CD2' HD21 ' A' ' 7' ' ' LEU . 30.9 mt -58.12 -41.74 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.288 1.035 . . . . 0.0 111.782 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.6 -29.55 51.97 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.016 -1.053 . . . . 0.0 109.362 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -83.35 -48.45 10.38 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -19.46 64.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.164 -0.96 . . . . 0.0 110.465 172.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 162.684 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 4.6 pt-20 . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -48.41 60.88 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -167.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.96 -34.58 57.58 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -31.21 69.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.244 -0.91 . . . . 0.0 111.714 167.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' HE2' ' B' ' 60' ' ' PHE . . . -81.46 -43.5 18.78 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -45.4 -52.71 9.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.213 -0.93 . . . . 0.0 113.196 160.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.15 80.23 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 86.6 t80 -76.0 -28.18 57.69 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.878 0.871 . . . . 0.0 111.969 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -79.35 -43.68 23.04 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.295 1.038 . . . . 0.0 112.996 165.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.89 -30.26 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.455 1.102 . . . . 0.0 110.234 -164.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' A' ' 30' ' ' ILE . 7.7 m-30 -56.03 -59.19 5.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.244 -0.91 . . . . 0.0 110.422 158.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -80.41 140.7 35.88 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.185 -0.947 . . . . 0.0 112.824 -160.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.95 7.37 11.45 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.079 -1.013 . . . . 0.0 109.996 -163.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 7.2 m-20 179.81 83.98 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.192 -1.567 . . . . 0.0 114.536 -153.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 67.08 76.19 0.29 Allowed 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -153.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -55.08 -15.18 1.95 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 123.843 0.857 . . . . 0.0 112.894 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.86 -61.76 6.99 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 120.855 -1.153 . . . . 0.0 115.142 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -116.17 153.55 31.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.291 -1.123 . . . . 0.0 111.716 -172.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 mt -108.52 144.69 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.152 -0.968 . . . . 0.0 110.236 167.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -115.15 163.11 16.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.196 -0.94 . . . . 0.0 112.721 -174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.623 HD11 ' HG2' ' B' ' 47' ' ' MET . 1.1 tt -62.95 -31.11 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 110.181 -175.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.65 -30.57 41.3 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.38 -30.53 37.87 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 1.04 HD22 HD12 ' A' ' 31' ' ' LEU . 9.8 tt -46.5 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.218 -0.926 . . . . 0.0 111.942 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.66 ' HA2' HD13 ' A' ' 31' ' ' LEU . . . -43.1 -41.07 4.61 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.155 -0.966 . . . . 0.0 115.106 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 16.1 mt-10 -72.98 -31.18 64.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.226 -1.161 . . . . 0.0 113.883 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.526 HG23 ' CE2' ' A' ' 14' ' ' PHE . 12.8 mm -54.49 -68.39 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.211 -0.931 . . . . 0.0 110.23 159.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 1.04 HD12 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -62.08 -25.11 67.51 Favored 'General case' 0 CA--C 1.574 1.881 0 O-C-N 121.113 -0.992 . . . . 0.0 111.379 -162.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.14 -40.88 3.05 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.295 -0.878 . . . . 0.0 110.803 -170.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -156.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -39.18 85.12 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 172.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.23 -47.14 82.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 170.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mm -56.29 -50.63 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.094 -1.004 . . . . 0.0 110.21 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -38.17 87.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.141 -0.974 . . . . 0.0 113.617 -173.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -76.83 -25.68 53.47 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.145 0.978 . . . . 0.0 112.714 174.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.97 -45.68 73.51 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.623 ' HG2' HD11 ' A' ' 24' ' ' ILE . 1.6 ttt -91.28 15.52 11.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.077 -1.015 . . . . 0.0 112.117 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.91 -37.11 5.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 160.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.43 -45.14 76.94 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.589 -0.694 . . . . 0.0 112.432 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.1 p -77.19 -25.62 52.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 112.867 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.99 141.31 33.38 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.17 -0.956 . . . . 0.0 112.724 -154.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -166.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.224 -0.922 . . . . 0.0 109.89 157.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -72.51 -54.02 10.4 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.178 -0.951 . . . . 0.0 113.138 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 m120 71.88 127.5 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 158.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -65.7 -22.3 66.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.151 -0.968 . . . . 0.0 112.685 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -9.97 0.07 OUTLIER Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.182 -0.949 . . . . 0.0 115.429 156.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -136.41 163.67 29.93 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.119 -1.224 . . . . 0.0 113.815 -160.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 1.008 HG22 ' HB2' ' B' ' 62' ' ' GLU . 61.1 mt -102.95 155.9 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 124.065 0.946 . . . . 0.0 110.197 -173.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -133.75 177.2 7.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.053 -1.029 . . . . 0.0 112.843 166.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.674 ' HE2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -54.36 -30.03 50.38 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.03 -1.044 . . . . 0.0 111.977 -163.028 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.89 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 124.931 2.3 . . . . 0.0 111.484 168.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 1.008 ' HB2' HG22 ' B' ' 58' ' ' ILE . 37.9 mt-10 -28.57 -33.17 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.998 166.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.513 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 2.2 t80 -63.24 -52.21 63.07 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.744 -1.223 . . . . 0.0 111.834 173.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.28 -26.87 63.49 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.478 1.111 . . . . 0.0 111.831 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.627 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -96.78 -19.03 19.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.214 -0.929 . . . . 0.0 109.549 -179.416 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 24.3 ttp -78.91 -49.28 13.09 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.3 tpt -57.07 -62.6 1.64 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.268 -0.895 . . . . 0.0 110.52 162.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.498 1.954 0 C-N-CA 124.554 1.141 . . . . 0.0 114.068 -157.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.899 0 CA-C-O 121.202 0.525 . . . . 0.0 111.918 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -38.62 72.95 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -166.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -18.06 15.54 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.682 HD21 ' HE3' ' B' ' 67' ' ' MET . 6.3 mt -69.33 -23.43 63.78 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.258 -0.901 . . . . 0.0 111.747 157.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.59 -52.8 10.79 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -50.37 -43.11 54.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.297 -0.877 . . . . 0.0 113.288 162.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -68.33 -31.52 71.0 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.77 ' HA ' ' HE2' ' B' ' 63' ' ' PHE . 0.6 OUTLIER -75.83 -40.46 54.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.311 -0.868 . . . . 0.0 112.088 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -51.6 -43.7 62.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.211 -0.931 . . . . 0.0 112.898 161.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.83 -34.01 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 C-N-CA 124.32 1.048 . . . . 0.0 110.216 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 30' ' ' ILE . 3.3 m-85 -55.92 -43.75 77.63 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.205 -0.934 . . . . 0.0 110.351 163.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.38 167.46 18.11 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.166 -0.959 . . . . 0.0 112.766 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.18 -53.76 0.85 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.113 -0.992 . . . . 0.0 109.192 170.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -94.52 -21.32 18.95 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -167.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 77.0 54.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 165.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -75.81 -19.83 58.65 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.032 0.933 . . . . 0.0 112.712 160.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.46 -15.98 49.14 Favored Glycine 0 CA--C 1.571 3.583 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -165.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -115.06 158.32 22.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.03 -1.277 . . . . 0.0 111.736 -163.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.489 HG13 ' CE1' ' A' ' 11' ' ' PHE . 2.8 mt -108.51 123.67 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 C-N-CA 124.168 0.987 . . . . 0.0 110.299 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -106.25 175.85 5.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.6 -29.78 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.277 -0.889 . . . . 0.0 110.222 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.72 -34.99 58.09 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -72.51 -36.62 68.4 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.94 HD22 HD22 ' A' ' 31' ' ' LEU . 5.9 tt -79.2 -45.02 20.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.863 -155.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.05 -36.98 92.02 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.15 -0.969 . . . . 0.0 115.105 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -34.49 54.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.256 -1.144 . . . . 0.0 113.88 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 14' ' ' PHE . 4.4 mm -48.46 -70.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.151 -0.968 . . . . 0.0 110.184 156.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 1.008 HD23 HG12 ' B' ' 43' ' ' ILE . 3.6 pp -68.21 -8.98 43.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.192 -0.943 . . . . 0.0 111.696 -163.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -85.87 -49.92 7.51 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.174 -0.954 . . . . 0.0 110.871 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -161.194 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.668 ' HA ' HD11 ' B' ' 43' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -26.94 66.77 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.67 -37.38 70.78 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.305 -0.872 . . . . 0.0 112.692 168.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 1.008 HG12 HD23 ' A' ' 31' ' ' LEU . 5.7 mt -57.25 -56.05 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.123 -0.985 . . . . 0.0 110.153 172.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.27 86.35 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.25 -42.52 88.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 112.663 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.6 tp -71.72 -44.26 64.45 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.688 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.5 ttm -73.01 -13.81 61.3 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.194 -0.941 . . . . 0.0 112.02 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -34.49 23.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.221 -0.925 . . . . 0.0 109.92 163.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.32 -34.6 77.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.487 -0.758 . . . . 0.0 112.464 -176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -82.19 -49.57 9.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.331 -0.855 . . . . 0.0 112.84 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.23 147.88 44.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.193 -0.942 . . . . 0.0 112.685 -164.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -112.39 0.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.214 -0.928 . . . . 0.0 109.912 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -71.33 5.48 2.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.536 -1.352 . . . . 0.0 113.418 -161.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 70.62 76.22 0.19 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.919 -1.113 . . . . 0.0 113.246 161.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -95.6 -29.26 14.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.159 -0.963 . . . . 0.0 112.703 157.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.42 35.57 5.17 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.256 -0.903 . . . . 0.0 115.159 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -159.05 131.95 7.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.085 -1.244 . . . . 0.0 114.044 -170.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.849 HG22 ' HB2' ' B' ' 62' ' ' GLU . 79.8 mt -111.86 146.84 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.209 -0.932 . . . . 0.0 110.411 -165.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -107.14 -168.01 1.34 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 112.787 170.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.632 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -68.01 -34.19 76.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.112 -0.993 . . . . 0.0 112.012 177.145 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.83 -83.18 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.123 0 CA-C-O 124.753 2.216 . . . . 0.0 111.69 170.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.849 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.4 mm-40 -24.23 -42.35 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.761 0 CA-C-N 113.84 -1.527 . . . . 0.0 113.615 164.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.77 ' HE2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -62.31 -46.5 88.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.428 -0.795 . . . . 0.0 111.939 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.51 -40.87 96.18 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 125.018 1.327 . . . . 0.0 111.763 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -45.93 32.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.124 -0.985 . . . . 0.0 109.334 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 4.7 ttm -46.37 -58.34 3.81 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.682 ' HE3' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -91.96 -11.61 35.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.122 -0.986 . . . . 0.0 110.485 -163.003 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 154.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.257 2.0 tt0 . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 121.13 0.49 . . . . 0.0 111.847 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.75 -32.18 65.46 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -30.92 16.17 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.904 HD11 HD22 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -77.17 -19.17 57.16 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.142 0.977 . . . . 0.0 111.736 162.333 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -65.04 -64.07 0.95 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 166.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -47.41 -38.31 13.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.317 -0.864 . . . . 0.0 113.31 166.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -69.31 -39.81 78.05 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 176.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.78 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 64.3 t80 -74.63 -30.33 61.6 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.957 0.903 . . . . 0.0 112.076 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -46.51 58.69 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.343 1.057 . . . . 0.0 112.907 167.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -75.55 -31.62 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 C-N-CA 124.418 1.087 . . . . 0.0 110.236 -166.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -59.14 -49.56 77.41 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.258 -0.901 . . . . 0.0 110.435 162.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.67 132.64 53.0 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.214 -0.928 . . . . 0.0 112.759 -170.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -100.8 -36.58 9.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.133 -0.98 . . . . 0.0 109.291 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.25 -29.6 13.1 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -162.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.66 63.45 0.07 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 167.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.97 8.71 26.45 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.566 1.146 . . . . 0.0 112.628 155.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.31 25.73 72.5 Favored Glycine 0 CA--C 1.572 3.637 0 O-C-N 121.294 -0.879 . . . . 0.0 115.079 -165.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -118.21 166.3 12.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.332 -1.099 . . . . 0.0 111.68 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -128.45 125.19 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.075 -1.015 . . . . 0.0 110.241 161.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -101.27 171.83 7.36 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.111 -0.993 . . . . 0.0 112.775 -176.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -29.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.313 -0.867 . . . . 0.0 110.313 174.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -70.13 -29.91 66.95 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.52 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 94.2 mt-10 -76.7 -26.35 54.62 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.863 HD11 HG23 ' B' ' 43' ' ' ILE . 2.0 tm? -69.76 -40.64 75.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.21 -0.931 . . . . 0.0 111.784 -159.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.25 82.99 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.178 -0.951 . . . . 0.0 115.059 167.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.731 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 2.5 mm-40 -78.36 -32.33 48.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.241 -1.152 . . . . 0.0 113.87 163.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.878 HG21 HD22 ' A' ' 31' ' ' LEU . 61.0 mt -58.6 -72.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.233 -0.917 . . . . 0.0 110.25 166.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.878 HD22 HG21 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.51 -36.67 81.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -174.108 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.07 10.29 8.14 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.326 -0.859 . . . . 0.0 110.768 -155.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 161.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.61 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -67.4 -45.68 75.47 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.245 -0.909 . . . . 0.0 112.724 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.863 HG23 HD11 ' A' ' 27' ' ' LEU . 10.0 mt -58.8 -35.06 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 172.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -35.91 68.4 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -72.63 -34.44 67.31 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.001 0.92 . . . . 0.0 112.688 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.36 -44.61 96.88 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 160.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.49 -38.87 88.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.137 -0.977 . . . . 0.0 112.074 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -30.79 62.92 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 124.015 0.926 . . . . 0.0 110.18 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -66.94 -39.68 87.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.42 -0.8 . . . . 0.0 112.441 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.1 m -60.52 -33.13 72.2 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.157 -0.965 . . . . 0.0 112.724 166.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.93 148.19 38.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.16 -0.963 . . . . 0.0 112.628 -174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -53.34 0.76 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.14 -0.975 . . . . 0.0 110.129 157.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -75.02 10.67 1.37 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.55 30.92 20.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.912 -1.117 . . . . 0.0 113.266 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.33 74.74 6.95 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.261 -0.899 . . . . 0.0 112.69 155.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.91 -22.22 0.28 Allowed Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.132 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -92.0 138.81 31.23 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.19 -1.182 . . . . 0.0 113.851 168.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.864 HG22 ' HB2' ' B' ' 62' ' ' GLU . 58.4 mt -108.76 141.59 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.073 -1.017 . . . . 0.0 110.195 -159.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -115.81 177.35 4.71 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.238 1.015 . . . . 0.0 112.836 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -41.94 74.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 -168.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.864 ' HB2' HG22 ' B' ' 58' ' ' ILE . 6.0 mm-40 -28.09 -48.08 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 165.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.78 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 5.5 t80 -59.43 -39.1 82.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.431 -0.793 . . . . 0.0 112.223 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 7' ' ' LEU . 7.1 mt -70.87 -21.47 62.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.313 -0.867 . . . . 0.0 111.777 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -85.27 -42.32 14.75 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.291 -0.881 . . . . 0.0 109.314 173.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.8 ttp -56.9 -20.37 22.91 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 8.9 mmt -98.18 -65.31 0.97 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.241 -0.912 . . . . 0.0 110.545 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.5 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 121.185 0.517 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -58.48 -32.98 69.28 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -85.63 -57.4 3.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.786 HD12 ' HE2' ' B' ' 67' ' ' MET . 0.1 OUTLIER -52.14 -24.66 7.36 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 111.699 168.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.62 -62.26 1.51 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -47.26 -30.25 2.94 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.263 -0.898 . . . . 0.0 113.206 164.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.83 -31.44 45.8 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.66 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 76.5 t80 -74.21 -30.31 62.13 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 112.086 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -53.0 40.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.233 -0.917 . . . . 0.0 112.933 165.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.36 -31.57 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 C-N-CA 124.205 1.002 . . . . 0.0 110.309 -166.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.552 ' HA ' HD12 ' A' ' 30' ' ' ILE . 4.2 m-30 -45.37 -72.95 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.254 -0.904 . . . . 0.0 110.397 162.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.71 145.04 55.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.189 -0.945 . . . . 0.0 112.803 -154.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HD3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -62.99 -33.42 75.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.189 -0.944 . . . . 0.0 109.233 -166.074 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.55 -39.41 0.65 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -166.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 80.11 67.07 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 158.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.73 -17.63 64.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.902 . . . . 0.0 112.786 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 106.37 17.55 12.32 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 120.986 -1.071 . . . . 0.0 115.301 -169.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.6 m-30 -117.6 166.05 12.85 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.253 -1.145 . . . . 0.0 111.625 168.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.912 HG22 ' CD ' ' A' ' 26' ' ' GLU . 96.1 mt -119.58 127.82 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.022 -1.049 . . . . 0.0 110.198 165.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.36 165.51 11.45 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.054 -1.029 . . . . 0.0 112.66 -172.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -2.43 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.217 -0.927 . . . . 0.0 110.493 172.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.93 -40.81 23.96 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.511 -1.368 . . . . 0.0 113.613 164.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.912 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.91 -46.92 27.5 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -172.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.995 HD23 HD11 ' B' ' 43' ' ' ILE . 7.1 tt -40.27 -54.78 2.31 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 125.232 1.413 . . . . 0.0 112.059 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.86 -29.21 72.58 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 121.072 -1.017 . . . . 0.0 115.098 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 2.7 tp10 -59.89 -45.23 93.17 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.198 -1.178 . . . . 0.0 113.907 165.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 14' ' ' PHE . 20.5 mm -58.25 -59.38 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.226 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 1.042 HD13 HD13 ' B' ' 43' ' ' ILE . 0.4 OUTLIER -65.13 -37.37 87.21 Favored 'General case' 0 CA--C 1.575 1.907 0 O-C-N 121.023 -1.048 . . . . 0.0 111.428 -172.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -33.87 20.6 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.335 -0.853 . . . . 0.0 110.806 -171.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 166.255 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.61 -46.08 77.08 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -65.4 -36.41 83.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.227 -0.921 . . . . 0.0 112.702 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 1.042 HD13 HD13 ' A' ' 31' ' ' LEU . 2.4 mm -56.99 -48.68 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.988 . . . . 0.0 110.081 170.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -34.83 77.12 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.14 -45.83 89.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.31 -0.869 . . . . 0.0 112.663 168.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.45 -47.22 50.65 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.594 ' HE1' HD13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -92.92 29.37 1.84 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.984 -1.072 . . . . 0.0 112.108 178.048 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 2.7 ptmt -126.09 -35.62 2.43 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.166 0.987 . . . . 0.0 109.991 156.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.4 -41.64 84.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.361 -0.837 . . . . 0.0 112.439 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 56.6 m -71.79 -39.51 69.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 112.909 162.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.428 ' HB3' ' HA ' ' B' ' 48' ' ' LYS . 26.4 t70 -82.49 3.29 28.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.188 -0.945 . . . . 0.0 112.717 -168.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -27.43 9.45 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.194 -0.941 . . . . 0.0 110.052 -169.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.04 17.38 0.34 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.193 -0.942 . . . . 0.0 113.229 -165.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.4 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.776 0.83 . . . . 0.0 112.758 171.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 1.11 58.57 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.605 1.162 . . . . 0.0 112.509 -153.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.61 48.79 3.1 Favored Glycine 0 CA--C 1.572 3.641 0 C-N-CA 124.399 1.0 . . . . 0.0 114.885 169.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -9.39 140.78 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 154.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 1.003 HG22 ' HB2' ' B' ' 62' ' ' GLU . 63.3 mt -92.97 134.24 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 C-N-CA 124.65 1.18 . . . . 0.0 110.316 -155.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -110.38 -179.76 3.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.013 -1.054 . . . . 0.0 112.862 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.76 -39.91 59.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.938 -1.101 . . . . 0.0 112.052 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.93 -84.14 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 125.031 2.348 . . . . 0.0 111.531 170.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 1.003 ' HB2' HG22 ' B' ' 58' ' ' ILE . 4.7 mt-10 -25.0 -35.86 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.718 0 C-N-CA 125.674 1.589 . . . . 0.0 113.828 167.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.66 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 3.7 t80 -61.73 -60.05 4.24 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.143 -0.973 . . . . 0.0 111.794 173.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 7' ' ' LEU . 38.4 mt -51.75 -27.41 11.98 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.21 1.004 . . . . 0.0 111.803 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.36 -45.03 9.28 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.082 -1.011 . . . . 0.0 109.482 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.07 -24.12 6.32 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.786 ' HE2' HD12 ' A' ' 7' ' ' LEU . 5.8 ttm -91.33 -57.33 2.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.206 -0.934 . . . . 0.0 110.561 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.796 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 121.287 0.565 . . . . 0.0 111.82 . . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.678 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 47.9 tt0 -61.32 -45.6 93.76 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 164.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -76.7 -49.3 16.4 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -25.1 25.22 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.218 -0.926 . . . . 0.0 111.773 163.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.678 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -67.91 -50.87 53.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -52.77 -48.97 66.44 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.267 -0.895 . . . . 0.0 113.279 166.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.91 69.08 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 171.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.702 ' HE1' HG13 ' A' ' 22' ' ' ILE . 20.8 t80 -75.67 -58.24 3.4 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.323 -0.861 . . . . 0.0 112.165 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -42.72 -46.77 5.23 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.165 0.986 . . . . 0.0 112.977 163.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -69.15 -42.87 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 C-N-CA 124.234 1.014 . . . . 0.0 110.249 -169.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.02 -36.4 74.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.301 -0.874 . . . . 0.0 110.408 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -80.89 109.44 15.46 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.246 -0.909 . . . . 0.0 112.827 -165.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.95 -70.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.077 -1.015 . . . . 0.0 109.232 -178.731 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -97.64 -18.73 18.73 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -161.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 77.52 69.67 0.05 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 159.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.16 -19.3 30.3 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.916 0.887 . . . . 0.0 112.701 160.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.55 1.9 53.23 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.282 -0.886 . . . . 0.0 115.246 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.462 ' HD2' ' NH1' ' B' ' 57' ' ' ARG . 22.9 m-30 -123.63 156.03 36.59 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.131 -1.217 . . . . 0.0 111.653 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.702 HG13 ' HE1' ' A' ' 11' ' ' PHE . 25.9 mt -106.92 146.81 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.032 -1.042 . . . . 0.0 110.275 170.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -122.7 176.18 6.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.217 -0.927 . . . . 0.0 112.747 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 tt -71.81 -27.09 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.129 -0.982 . . . . 0.0 110.269 -175.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.14 -35.43 74.05 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.073 -1.017 . . . . 0.0 113.724 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.57 -24.16 58.88 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.944 ' CD1' HG22 ' B' ' 43' ' ' ILE . 1.9 tm? -61.04 -74.83 0.07 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.156 0.982 . . . . 0.0 111.828 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -49.02 -49.91 28.65 Favored Glycine 0 CA--C 1.572 3.623 0 O-C-N 121.136 -0.978 . . . . 0.0 115.092 -175.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.48 -36.68 68.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.301 -1.117 . . . . 0.0 113.939 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.1 mt -43.61 -65.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.073 -1.017 . . . . 0.0 110.157 159.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.26 -34.18 60.21 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.091 -1.006 . . . . 0.0 111.417 -175.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.34 -29.94 19.94 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.353 -0.842 . . . . 0.0 110.811 -170.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -164.341 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.12 -35.76 79.72 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 172.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -59.22 -36.8 76.06 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.215 -0.928 . . . . 0.0 112.664 169.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.944 HG22 ' CD1' ' A' ' 27' ' ' LEU . 1.2 mp -70.08 -46.81 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 172.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -38.69 86.04 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.09 -36.91 66.88 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.998 0.919 . . . . 0.0 112.667 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.63 -45.3 94.66 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.762 ' HE3' HG13 ' B' ' 58' ' ' ILE . 17.0 tpt -78.7 -7.12 57.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.151 -0.968 . . . . 0.0 112.086 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -93.15 -33.8 13.88 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.151 -0.968 . . . . 0.0 109.973 164.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.4 -52.06 44.32 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.501 -0.749 . . . . 0.0 112.446 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.6 m -63.9 -42.73 97.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.201 -0.937 . . . . 0.0 112.854 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.08 179.8 4.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 112.706 -161.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.27 -138.33 0.16 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.143 -0.973 . . . . 0.0 109.589 154.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -69.53 -45.53 68.61 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.616 -1.302 . . . . 0.0 113.029 -155.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m120 53.54 98.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.983 0.913 . . . . 0.0 113.444 154.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -27.02 -37.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.252 1.021 . . . . 0.0 112.739 154.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.26 -25.95 0.1 OUTLIER Glycine 0 CA--C 1.572 3.6 0 O-C-N 121.066 -1.021 . . . . 0.0 115.404 154.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.462 ' NH1' ' HD2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -116.25 173.55 6.53 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.136 -1.214 . . . . 0.0 114.071 -154.388 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 1.032 HG22 ' HB2' ' B' ' 62' ' ' GLU . 63.4 mt -109.54 150.22 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 110.335 -171.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -120.23 174.86 6.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.075 -1.015 . . . . 0.0 112.826 166.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.04 -33.27 51.11 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.955 -1.09 . . . . 0.0 112.025 -171.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.32 -84.73 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.84 2.257 . . . . 0.0 111.271 170.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 1.032 ' HB2' HG22 ' B' ' 58' ' ' ILE . 8.7 mt-10 -28.58 -33.53 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.913 -1.494 . . . . 0.0 113.982 168.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -62.34 -53.5 54.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.718 -1.239 . . . . 0.0 111.973 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.72 -32.18 59.31 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.414 1.086 . . . . 0.0 111.838 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -85.74 -51.12 6.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.063 -1.023 . . . . 0.0 109.35 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.8 ttp -52.96 -30.21 33.5 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 171.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 36.3 tpp -77.52 -54.73 6.06 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.217 -0.927 . . . . 0.0 110.601 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 170.777 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.5 tt0 . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 121.215 0.531 . . . . 0.0 111.836 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.585 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 6.4 tt0 -46.81 -55.7 7.48 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -41.08 96.51 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -173.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 1.009 HD21 HD22 ' B' ' 64' ' ' LEU . 5.1 mp -69.58 -21.54 63.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 111.711 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -67.42 -62.22 1.53 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -42.8 -53.06 4.78 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 113.232 162.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.2 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.508 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 79.8 t80 -77.0 -30.05 55.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 0.0 112.13 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -68.73 -30.14 68.71 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.422 1.089 . . . . 0.0 113.027 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -79.72 -37.61 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 C-N-CA 124.359 1.064 . . . . 0.0 110.172 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CD1' HD13 ' A' ' 30' ' ' ILE . 10.8 m-30 -71.25 -28.72 64.36 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.841 0.856 . . . . 0.0 110.435 178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.749 ' OD2' ' HB2' ' A' ' 18' ' ' ALA . 61.6 t0 -40.38 141.23 0.54 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.212 1.005 . . . . 0.0 112.843 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 -38.85 4.39 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.205 -0.934 . . . . 0.0 109.29 165.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -128.19 -81.66 0.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.749 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . . . 72.47 83.32 0.13 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 157.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.03 -21.0 58.38 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.245 -0.909 . . . . 0.0 112.767 161.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.44 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -175.5 -31.16 0.04 OUTLIER Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.116 -0.99 . . . . 0.0 115.002 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.44 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.5 m-30 -111.57 161.38 16.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.256 -1.143 . . . . 0.0 111.748 -166.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.499 HG22 ' OE1' ' A' ' 26' ' ' GLU . 84.1 mt -115.24 121.55 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.021 -1.049 . . . . 0.0 110.266 168.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.16 177.23 4.92 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.965 -1.084 . . . . 0.0 112.761 -157.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -27.45 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.203 -0.936 . . . . 0.0 110.22 -178.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -27.42 56.23 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' OE1' HG22 ' A' ' 22' ' ' ILE . 49.9 mt-10 -66.26 -38.53 88.04 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 166.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.809 HD11 HG22 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -64.22 -68.22 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.197 -0.939 . . . . 0.0 111.883 -157.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.54 -51.3 1.39 Allowed Glycine 0 CA--C 1.572 3.643 0 O-C-N 121.17 -0.956 . . . . 0.0 115.144 173.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -75.97 -20.87 57.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.266 -1.138 . . . . 0.0 113.89 -171.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.541 HD13 ' CD1' ' A' ' 14' ' ' PHE . 23.9 mm -58.87 -69.81 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 156.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.484 HD12 HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.52 -36.84 46.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.094 -1.004 . . . . 0.0 111.349 -173.484 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -23.85 11.89 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.327 -0.858 . . . . 0.0 110.823 -164.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.96 -17.15 64.48 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.91 -37.94 19.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.172 -0.955 . . . . 0.0 112.698 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.809 HG22 HD11 ' A' ' 27' ' ' LEU . 1.7 mp -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.152 -0.968 . . . . 0.0 110.266 166.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -39.1 91.88 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.53 -37.33 84.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.367 -0.833 . . . . 0.0 112.645 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.06 -45.01 87.13 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.461 ' HE3' HG13 ' B' ' 58' ' ' ILE . 77.6 mmm -71.03 -48.23 54.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.982 -1.074 . . . . 0.0 112.052 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.85 -25.16 66.44 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.241 -0.912 . . . . 0.0 110.381 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.97 -57.95 5.89 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.878 -1.139 . . . . 0.0 112.399 168.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.4 p -66.09 -30.7 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.083 -1.01 . . . . 0.0 112.876 -168.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -82.78 134.48 35.12 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.222 -0.924 . . . . 0.0 112.682 -157.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 1.0 OUTLIER -64.85 -96.8 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 110.078 156.037 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -67.49 -6.74 21.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.217 -0.927 . . . . 0.0 113.355 -154.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 m120 62.79 38.14 11.91 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.15 -0.969 . . . . 0.0 113.303 170.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -72.7 -39.85 66.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.216 -0.928 . . . . 0.0 112.697 155.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.75 19.26 41.19 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.231 -0.918 . . . . 0.0 115.124 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -133.4 136.4 45.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -1.164 . . . . 0.0 113.859 170.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.478 HG22 ' HG3' ' B' ' 62' ' ' GLU . 70.3 mt -108.04 113.09 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.097 -1.002 . . . . 0.0 110.186 -154.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -94.14 163.45 13.46 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.907 -1.121 . . . . 0.0 113.16 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.523 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 40.9 t80 -51.81 -32.41 31.31 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.003 0.921 . . . . 0.0 112.034 -160.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -49.91 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 124.618 2.151 . . . . 0.0 111.362 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.478 ' HG3' HG22 ' B' ' 58' ' ' ILE . 10.5 pt-20 -38.37 -17.04 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 168.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.508 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 20.6 t80 -66.54 -58.82 4.4 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.747 -1.846 . . . . 0.0 112.059 162.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 1.009 HD22 HD21 ' A' ' 7' ' ' LEU . 19.0 mt -50.86 -28.56 9.77 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.591 1.156 . . . . 0.0 111.923 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -95.08 -21.8 18.31 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.119 -0.988 . . . . 0.0 109.604 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.48 ' HE3' ' CD1' ' B' ' 63' ' ' PHE . 3.1 ttp -73.45 -12.27 60.74 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 171.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.4 ' HE1' HD22 ' A' ' 7' ' ' LEU . 1.4 ttp -114.13 -40.45 3.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.212 -0.93 . . . . 0.0 110.546 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 1.1 mp0 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.137 0.494 . . . . 0.0 111.857 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -35.35 -60.34 0.49 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.52 -48.62 71.87 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.692 HD11 HD22 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -62.81 -36.17 82.31 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.219 -0.925 . . . . 0.0 111.704 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -51.07 31.46 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -39.48 -50.1 2.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.275 -0.891 . . . . 0.0 113.271 162.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.73 74.81 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.616 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 91.5 t80 -70.29 -31.22 68.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 112.119 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.922 ' HD2' HG12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -80.26 -38.8 30.21 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.24 -0.913 . . . . 0.0 112.944 170.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.922 HG12 ' HD2' ' A' ' 12' ' ' ARG . 1.9 mm -67.22 -38.82 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 C-N-CA 124.066 0.946 . . . . 0.0 110.291 -173.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.236 -0.915 . . . . 0.0 110.37 171.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.56 156.22 25.32 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.278 -0.889 . . . . 0.0 112.842 -167.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 15.1 mtmm -129.56 7.35 5.29 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.938 -167.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 179.93 83.71 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.216 -1.553 . . . . 0.0 114.588 -154.204 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 63.43 75.14 0.4 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -154.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.21 -21.73 0.3 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.376 -0.828 . . . . 0.0 112.714 168.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.74 -50.08 55.46 Favored Glycine 0 CA--C 1.572 3.618 0 O-C-N 121.142 -0.974 . . . . 0.0 115.209 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -116.94 156.06 28.06 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.245 -1.15 . . . . 0.0 111.735 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -115.36 158.34 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.227 -0.921 . . . . 0.0 110.266 166.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -126.85 168.82 13.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.006 -1.059 . . . . 0.0 112.67 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 tt -67.56 -29.63 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.178 -0.951 . . . . 0.0 110.253 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.85 -33.2 75.44 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 172.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -77.83 -25.37 48.78 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.725 HD21 HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -66.96 -71.38 0.2 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.203 -0.936 . . . . 0.0 111.875 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -37.83 -61.39 1.13 Allowed Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.158 -0.964 . . . . 0.0 115.123 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.21 -30.86 71.93 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.307 -1.114 . . . . 0.0 113.931 -171.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.17 -74.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.186 -0.946 . . . . 0.0 110.253 156.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.725 HD22 HD21 ' A' ' 27' ' ' LEU . 4.5 pp -62.43 -4.22 1.78 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.29 -0.881 . . . . 0.0 111.681 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -64.79 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.229 -0.919 . . . . 0.0 110.808 168.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -164.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.63 72.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -61.56 -42.43 98.83 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.251 -0.906 . . . . 0.0 112.709 168.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 27' ' ' LEU . 8.1 mt -60.27 -58.56 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.143 -0.973 . . . . 0.0 110.191 173.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -32.89 74.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.052 -1.03 . . . . 0.0 113.776 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.32 -53.89 44.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.286 -0.884 . . . . 0.0 112.642 165.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.36 -61.39 2.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.113 -0.992 . . . . 0.0 113.671 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 27.5 ttt -89.58 -3.57 58.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.655 -1.278 . . . . 0.0 112.165 -159.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -37.08 11.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.163 -0.96 . . . . 0.0 109.909 163.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.46 -25.71 66.02 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.383 -0.823 . . . . 0.0 112.41 173.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -89.81 -48.99 6.89 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 0.0 112.859 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -72.77 130.3 40.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.702 -157.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -102.43 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.27 -0.894 . . . . 0.0 109.873 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -70.89 -7.27 44.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.848 -1.158 . . . . 0.0 113.301 -164.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.64 49.19 3.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.953 . . . . 0.0 113.266 163.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.02 -51.28 6.78 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.295 -0.878 . . . . 0.0 112.582 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -47.28 0.28 Allowed Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.257 -0.902 . . . . 0.0 115.209 173.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt-85 -112.63 158.72 19.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.305 -1.115 . . . . 0.0 113.866 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.654 HG22 ' HB2' ' B' ' 62' ' ' GLU . 66.0 mt -109.46 136.6 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.163 -0.961 . . . . 0.0 110.301 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -114.4 -178.27 3.33 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.225 1.01 . . . . 0.0 112.846 162.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -55.06 -34.88 63.96 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.015 -1.053 . . . . 0.0 112.033 -168.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -84.79 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.752 2.215 . . . . 0.0 111.39 172.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.654 ' HB2' HG22 ' B' ' 58' ' ' ILE . 1.1 mp0 -27.93 -35.91 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.821 167.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.616 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 56.2 t80 -61.85 -50.22 73.13 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.971 -1.081 . . . . 0.0 111.816 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.692 HD22 HD11 ' A' ' 7' ' ' LEU . 13.2 mt -56.85 -32.57 65.94 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 124.874 1.27 . . . . 0.0 111.882 175.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -85.65 -40.14 16.52 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.6 ttp -50.95 -36.12 37.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 169.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.603 ' SD ' HD12 ' A' ' 7' ' ' LEU . 6.4 ptm -114.62 -14.8 12.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.174 -0.954 . . . . 0.0 110.537 -168.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 168.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 21.4 pt-20 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 121.148 0.499 . . . . 0.0 111.887 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -54.61 -47.84 72.93 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -171.002 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.93 -43.38 13.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.676 HD21 HD22 ' B' ' 64' ' ' LEU . 1.4 mp -60.96 -8.59 3.3 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 124.18 0.992 . . . . 0.0 111.806 163.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -89.87 -42.39 11.26 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -59.34 -37.18 77.18 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.169 -0.957 . . . . 0.0 113.226 160.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -69.67 -38.59 77.13 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 174.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.893 ' HD2' ' CD2' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -74.1 -44.69 53.03 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.206 -0.934 . . . . 0.0 112.316 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -46.51 -53.67 10.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.064 -1.022 . . . . 0.0 112.979 160.268 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -68.49 -27.23 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.317 1.047 . . . . 0.0 110.304 -168.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.97 -51.57 63.74 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.052 0.941 . . . . 0.0 110.429 171.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -74.3 127.91 34.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.153 -0.967 . . . . 0.0 112.792 -162.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.28 -21.15 27.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.172 -0.955 . . . . 0.0 109.388 -162.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -122.38 -28.1 4.34 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.528 1.306 . . . . 0.0 114.528 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.88 50.16 0.86 Allowed 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 163.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.22 -12.16 60.77 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.174 -0.954 . . . . 0.0 112.67 154.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.35 -18.09 4.45 Favored Glycine 0 CA--C 1.573 3.66 0 O-C-N 121.17 -0.956 . . . . 0.0 115.073 174.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -112.06 171.33 7.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.344 -1.092 . . . . 0.0 111.706 -155.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.432 HG13 ' CE1' ' A' ' 11' ' ' PHE . 5.7 mt -107.04 144.53 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 110.291 157.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.65 165.01 12.17 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.125 -0.984 . . . . 0.0 112.648 170.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -39.25 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.324 -0.86 . . . . 0.0 110.182 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.89 -29.92 63.53 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -174.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.73 ' O ' HD11 ' A' ' 30' ' ' ILE . 63.1 mt-10 -79.77 -18.25 51.48 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.586 HD22 HD22 ' A' ' 31' ' ' LEU . 6.1 tt -66.82 -61.12 2.12 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.219 -0.926 . . . . 0.0 111.868 -175.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.33 -54.3 7.42 Favored Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.094 -1.004 . . . . 0.0 115.18 166.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.56 -40.43 78.9 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.268 -1.136 . . . . 0.0 113.867 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.73 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -54.14 -77.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.14 -0.975 . . . . 0.0 110.245 162.494 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.586 HD22 HD22 ' A' ' 27' ' ' LEU . 4.6 pp -54.99 -22.67 16.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.11 -0.994 . . . . 0.0 111.626 -165.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -77.71 -68.64 0.61 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.249 -0.907 . . . . 0.0 110.752 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -157.643 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.87 -28.05 66.35 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -38.26 88.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.235 -0.916 . . . . 0.0 112.668 166.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.72 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.256 -0.902 . . . . 0.0 110.267 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -37.67 80.06 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.88 -42.64 85.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.37 -0.831 . . . . 0.0 112.724 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.426 ' HA ' HD21 ' B' ' 46' ' ' LEU . 2.9 tm? -60.7 -41.4 95.12 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 166.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.411 ' HE3' HG13 ' B' ' 58' ' ' ILE . 13.9 tpt -63.98 -8.89 12.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.186 -0.946 . . . . 0.0 112.087 167.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.41 -31.23 11.02 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.263 -0.898 . . . . 0.0 110.282 170.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.07 -51.08 58.84 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.399 -0.813 . . . . 0.0 112.447 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -77.68 -39.96 43.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.27 -0.894 . . . . 0.0 112.915 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.24 144.12 57.37 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.257 -0.902 . . . . 0.0 112.674 -169.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -144.72 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.149 -0.97 . . . . 0.0 109.96 155.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -1.43 8.22 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 m120 58.36 87.23 0.07 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.805 -1.185 . . . . 0.0 113.271 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -74.4 -44.5 51.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.186 -0.946 . . . . 0.0 112.728 158.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.0 -52.86 0.1 Allowed Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.092 -1.005 . . . . 0.0 115.068 167.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 177.52 7.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -1.138 . . . . 0.0 113.846 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 1.046 HD12 ' HE3' ' B' ' 66' ' ' MET . 51.4 mt -100.7 134.72 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.129 -0.982 . . . . 0.0 110.117 -159.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -111.38 173.03 6.54 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 124.402 1.081 . . . . 0.0 112.807 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.893 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 38.8 t80 -52.65 -31.7 38.28 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.867 -1.146 . . . . 0.0 112.119 -165.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -83.41 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.829 2.252 . . . . 0.0 111.508 168.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.795 ' HB2' HG22 ' B' ' 58' ' ' ILE . 15.4 mt-10 -25.56 -38.54 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.722 0 CA-C-N 113.778 -1.556 . . . . 0.0 113.684 166.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.514 ' HA ' ' HE1' ' B' ' 66' ' ' MET . 64.9 t80 -63.21 -50.66 69.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.039 -1.038 . . . . 0.0 112.121 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.676 HD22 HD21 ' A' ' 7' ' ' LEU . 52.8 mt -62.35 -39.5 93.34 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.524 1.13 . . . . 0.0 111.816 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -72.5 -39.0 67.99 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.051 -1.031 . . . . 0.0 109.381 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 1.046 ' HE3' HD12 ' B' ' 58' ' ' ILE . 1.6 ttm -70.48 -21.64 62.75 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 45.0 tpp -79.84 -61.72 1.9 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.292 -0.88 . . . . 0.0 110.547 166.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.468 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.3 mp0 . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 121.219 0.533 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -40.64 -44.48 2.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.64 -47.37 54.89 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.828 HD11 HD22 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -71.52 -36.72 71.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.152 -0.968 . . . . 0.0 111.752 175.606 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.455 ' O ' ' HD2' ' A' ' 12' ' ' ARG . . . -56.65 -60.99 2.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 168.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -34.55 -71.39 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.024 0.93 . . . . 0.0 113.244 160.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.09 72.9 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HE2' ' HB2' ' B' ' 60' ' ' PHE . 1.8 t80 -68.24 -40.25 82.03 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.183 -0.948 . . . . 0.0 112.17 175.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 8' ' ' ALA . 32.1 mtt180 -59.01 -38.98 80.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 112.949 162.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -71.68 -33.88 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.358 1.063 . . . . 0.0 110.247 -168.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -60.53 -41.89 95.35 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.31 -0.869 . . . . 0.0 110.445 166.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.74 141.97 44.39 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.193 -0.942 . . . . 0.0 112.732 -161.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.79 30.6 5.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -162.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -173.42 -39.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 83.98 44.02 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 154.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -68.99 -21.58 64.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.206 -0.934 . . . . 0.0 112.595 154.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.0 -28.94 3.44 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.263 -0.898 . . . . 0.0 115.332 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.43 167.2 10.2 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.191 -1.182 . . . . 0.0 111.653 -167.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.545 HG13 ' HE1' ' A' ' 11' ' ' PHE . 2.1 mt -95.79 159.13 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.187 -0.945 . . . . 0.0 110.329 166.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -124.47 -178.25 4.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.241 -0.912 . . . . 0.0 112.753 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.632 HD13 HG21 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.6 -37.01 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.235 -0.915 . . . . 0.0 110.223 178.342 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.19 -33.8 73.92 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.7 -34.99 60.43 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.575 ' CD2' HG22 ' B' ' 43' ' ' ILE . 1.0 OUTLIER -43.44 -63.38 0.84 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 111.967 175.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.2 -47.03 85.13 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.078 -1.014 . . . . 0.0 115.171 -174.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 48.2 mm-40 -62.76 -35.79 80.95 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.257 -1.143 . . . . 0.0 113.885 173.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.458 HD12 HD12 ' A' ' 22' ' ' ILE . 11.9 mt -48.26 -65.18 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.029 -1.044 . . . . 0.0 110.178 162.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 32' ' ' ARG . 2.3 pp -64.73 -19.9 66.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 111.599 -164.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.7 ' HB2' HD13 ' A' ' 31' ' ' LEU . 14.2 ttm-85 -114.05 -14.2 12.41 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.067 -1.021 . . . . 0.0 111.044 -169.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.931 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.57 -35.39 75.96 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.9 -50.67 72.87 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.185 -0.947 . . . . 0.0 112.652 171.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.632 HG21 HD13 ' A' ' 24' ' ' ILE . 11.4 mt -61.95 -38.0 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.158 -0.964 . . . . 0.0 110.239 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.5 75.82 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.76 -46.02 66.77 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.903 0.881 . . . . 0.0 112.69 170.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 tt -63.78 -46.5 84.93 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.5 ttt -63.97 -32.57 74.15 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.021 -1.049 . . . . 0.0 112.068 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -85.73 -8.69 58.01 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 110.542 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -67.09 -67.2 0.47 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.113 -1.617 . . . . 0.0 112.451 154.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.2 p -64.09 -41.99 97.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.956 -1.09 . . . . 0.0 112.822 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -53.73 133.59 42.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.193 -0.942 . . . . 0.0 112.706 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -95.48 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.979 -1.076 . . . . 0.0 110.154 158.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.75 -23.59 63.35 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.235 -0.916 . . . . 0.0 113.382 -154.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 59.32 80.92 0.18 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.174 -0.954 . . . . 0.0 113.277 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.73 14.8 2.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.942 . . . . 0.0 112.841 166.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.9 -19.91 24.91 Favored Glycine 0 CA--C 1.571 3.555 0 O-C-N 120.758 -1.214 . . . . 0.0 115.663 154.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 mtt85 -118.51 165.16 14.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.048 -1.266 . . . . 0.0 113.992 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.992 HG22 ' HB2' ' B' ' 62' ' ' GLU . 72.9 mt -112.52 135.81 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.173 -0.954 . . . . 0.0 110.496 170.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -122.68 179.17 4.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.015 -1.053 . . . . 0.0 112.837 168.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.592 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -53.87 -32.07 51.91 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.832 -1.168 . . . . 0.0 112.035 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.68 -83.86 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 124.91 2.29 . . . . 0.0 111.615 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.992 ' HB2' HG22 ' B' ' 58' ' ' ILE . 0.6 OUTLIER -25.53 -37.0 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.813 165.679 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.02 -52.68 61.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.207 -0.933 . . . . 0.0 111.885 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.828 HD22 HD11 ' A' ' 7' ' ' LEU . 57.2 mt -60.4 -29.03 68.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.338 1.055 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -43.79 20.09 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -16.17 5.27 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 173.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.22 -53.44 4.85 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.142 -0.974 . . . . 0.0 110.529 165.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -167.087 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 3.9 mt-10 . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.259 0.552 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.65 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 5.2 tt0 -80.98 -37.19 29.72 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -159.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -32.8 69.76 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.498 HD13 ' OE2' ' B' ' 68' ' ' GLU . 4.0 mt -68.88 -20.26 64.26 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.039 0.935 . . . . 0.0 111.781 162.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -74.2 -48.51 28.57 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 168.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -56.61 -40.8 75.95 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.299 -0.875 . . . . 0.0 113.231 166.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.28 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 0.8 OUTLIER -69.12 -31.87 70.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.84 . . . . 0.0 112.082 175.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -64.73 -46.77 80.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.233 -0.917 . . . . 0.0 112.952 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -76.57 -31.43 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.382 1.073 . . . . 0.0 110.216 -165.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CD1' HD12 ' A' ' 30' ' ' ILE . 22.1 m-30 -61.76 -52.32 64.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.347 -0.845 . . . . 0.0 110.425 166.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -67.69 98.8 0.73 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.15 -0.968 . . . . 0.0 112.805 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -12.71 60.0 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.127 -0.983 . . . . 0.0 109.386 -163.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.08 -35.24 9.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 172.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.34 49.4 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.6 11.89 20.58 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.195 -0.941 . . . . 0.0 112.655 162.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.99 6.89 84.52 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.214 -0.929 . . . . 0.0 115.113 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -115.8 156.68 25.61 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.359 -1.083 . . . . 0.0 111.653 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.867 HG22 ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.77 150.68 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.119 -0.988 . . . . 0.0 110.273 162.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.19 162.15 19.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.258 -0.901 . . . . 0.0 112.69 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.64 HD13 HG21 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.98 -23.06 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.288 -0.882 . . . . 0.0 110.329 178.739 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -75.74 -35.5 60.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.904 -1.123 . . . . 0.0 113.722 173.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.867 ' CG ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.05 -52.95 29.46 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.801 ' HG ' HD22 ' A' ' 31' ' ' LEU . 6.2 tp -39.65 -77.83 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 124.248 1.019 . . . . 0.0 111.834 174.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 31' ' ' LEU . . . -51.45 -37.73 40.95 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.158 -0.964 . . . . 0.0 115.105 -170.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -56.97 -58.41 8.28 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.234 -1.156 . . . . 0.0 113.865 170.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 14' ' ' PHE . 4.2 mt -51.6 -58.39 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.162 -0.961 . . . . 0.0 110.205 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.801 HD22 ' HG ' ' A' ' 27' ' ' LEU . 4.4 pp -63.35 -32.06 73.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.002 -1.061 . . . . 0.0 111.618 -170.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.612 ' CG ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.77 35.14 4.53 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.224 -0.923 . . . . 0.0 110.784 -169.186 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 167.673 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.33 -39.61 89.36 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -65.65 0.53 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.194 -0.941 . . . . 0.0 112.648 165.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 24' ' ' ILE . 1.6 mp -66.35 -38.02 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.046 -1.034 . . . . 0.0 110.28 -168.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.13 -34.11 65.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -65.79 -47.04 76.47 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.323 -0.861 . . . . 0.0 112.702 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.41 -43.86 97.81 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 169.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.39 13.17 2.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.071 -1.018 . . . . 0.0 112.074 169.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -102.0 -40.02 7.06 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.058 0.943 . . . . 0.0 109.925 157.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -67.59 -40.11 84.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.446 -0.784 . . . . 0.0 112.505 -171.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.7 m -104.35 -7.94 19.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.237 -0.914 . . . . 0.0 113.099 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.64 26.57 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.036 -1.04 . . . . 0.0 112.673 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -41.4 93.99 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.172 -0.955 . . . . 0.0 109.95 -164.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -73.54 5.04 4.14 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 m120 63.42 41.2 7.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.788 -1.195 . . . . 0.0 113.259 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -94.39 66.69 3.39 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.086 0.955 . . . . 0.0 112.684 156.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.49 -19.95 0.17 Allowed Glycine 0 CA--C 1.572 3.635 0 O-C-N 121.161 -0.962 . . . . 0.0 115.115 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 151.47 41.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.306 -1.114 . . . . 0.0 113.811 159.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.892 HG22 ' HB2' ' B' ' 62' ' ' GLU . 71.8 mt -108.37 148.42 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.097 -1.002 . . . . 0.0 110.187 -154.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.48 179.54 3.97 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.967 -1.083 . . . . 0.0 112.855 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.474 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 1.4 t80 -66.16 -32.24 73.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.905 -1.122 . . . . 0.0 112.044 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -83.87 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 124.947 2.308 . . . . 0.0 111.248 165.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.892 ' HB2' HG22 ' B' ' 58' ' ' ILE . 1.5 mm-40 -25.78 -37.87 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.712 0 CA-C-N 113.788 -1.551 . . . . 0.0 113.847 166.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 48.9 t80 -60.94 -50.77 72.06 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.211 -0.931 . . . . 0.0 111.884 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.34 -35.21 69.63 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 124.232 1.013 . . . . 0.0 111.897 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -42.25 70.57 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.095 -1.003 . . . . 0.0 109.383 172.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -75.6 -35.59 60.51 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -164.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.6 mtt -78.68 -70.3 0.51 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.217 -0.927 . . . . 0.0 110.564 157.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.498 ' OE2' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -159.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.978 ' HG2' HD23 ' B' ' 64' ' ' LEU 0.258 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 121.278 0.561 . . . . 0.0 111.844 . . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 7.1 tt0 -89.96 -68.26 0.79 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -168.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -26.78 59.09 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 168.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -68.97 -27.9 66.14 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.051 0.94 . . . . 0.0 111.737 165.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -74.01 -57.17 4.15 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 173.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -31.71 -53.54 0.26 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.231 -0.918 . . . . 0.0 113.253 158.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.91 58.24 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.611 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 14.9 t80 -70.77 -34.59 71.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.222 -0.923 . . . . 0.0 112.092 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -32.09 35.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.189 -0.944 . . . . 0.0 112.92 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.65 -30.83 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.996 0.918 . . . . 0.0 110.333 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -71.66 -56.17 6.33 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.883 0.873 . . . . 0.0 110.341 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.39 130.25 42.32 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.24 -0.913 . . . . 0.0 112.804 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 26.68 6.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.967 . . . . 0.0 109.376 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -124.59 -32.53 3.11 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 80.52 43.73 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 156.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -71.92 -19.52 61.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 124.014 0.926 . . . . 0.0 112.698 160.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.23 -0.04 40.86 Favored Glycine 0 CA--C 1.571 3.562 0 N-CA-C 115.443 0.937 . . . . 0.0 115.443 -167.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.08 161.41 18.94 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.978 -1.307 . . . . 0.0 111.741 -171.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.41 137.04 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 124.059 0.944 . . . . 0.0 110.293 164.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -118.55 162.12 18.9 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.154 -0.966 . . . . 0.0 112.727 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 24' ' ' ILE . 1.2 tp -64.42 -36.03 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.147 -0.971 . . . . 0.0 110.19 -174.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.93 -30.24 63.73 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -78.45 -17.62 56.06 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 HD12 ' A' ' 31' ' ' LEU . 2.0 tm? -68.8 -69.19 0.34 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.27 -0.894 . . . . 0.0 111.939 -171.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.522 ' CA ' HD13 ' A' ' 31' ' ' LEU . . . -25.17 -68.51 0.04 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.218 -0.926 . . . . 0.0 115.186 161.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.8 -28.52 69.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.255 -1.144 . . . . 0.0 113.872 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -61.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.145 -0.972 . . . . 0.0 110.211 164.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.628 HD12 HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.38 -20.69 20.57 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.169 -0.957 . . . . 0.0 111.332 174.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 43.3 3.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.359 -0.838 . . . . 0.0 110.814 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 164.605 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.78 -43.11 97.33 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.74 -43.44 62.92 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.221 -0.924 . . . . 0.0 112.67 167.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.42 -36.13 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 110.251 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -40.16 91.59 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.05 -25.62 67.9 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.389 -0.819 . . . . 0.0 112.65 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.53 -50.26 22.33 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.826 ' HE1' HD13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -92.06 13.17 19.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.873 -1.142 . . . . 0.0 112.072 -176.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -99.08 -45.13 6.04 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.014 0.925 . . . . 0.0 109.937 155.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.57 -47.31 70.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.699 . . . . 0.0 112.438 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -88.58 -20.48 24.95 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.257 -0.902 . . . . 0.0 112.865 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.89 -136.02 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.126 -0.984 . . . . 0.0 112.576 171.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 -118.14 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.619 -1.301 . . . . 0.0 109.94 156.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -73.92 12.18 0.74 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.275 . . . . 0.0 113.435 -170.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 m120 76.61 32.71 0.53 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.983 -1.073 . . . . 0.0 113.161 158.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -122.99 53.26 1.3 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.054 1.342 . . . . 0.0 112.579 154.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.9 49.16 0.86 Allowed Glycine 0 CA--C 1.571 3.538 0 N-CA-C 115.58 0.992 . . . . 0.0 115.58 -161.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 134.73 0.91 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.252 -1.146 . . . . 0.0 113.737 154.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.826 HD13 ' HE1' ' B' ' 47' ' ' MET . 68.8 mt -90.96 144.42 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 C-N-CA 124.533 1.133 . . . . 0.0 110.265 -154.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -122.19 172.96 7.89 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.253 1.021 . . . . 0.0 112.697 165.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.583 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -58.24 -32.53 68.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.038 -1.039 . . . . 0.0 112.279 -160.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -78.94 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.702 0 O-C-N 120.747 -1.221 . . . . 0.0 113.525 162.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.78 ' HB2' HG22 ' B' ' 58' ' ' ILE . 32.8 mt-10 -36.71 -32.86 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 172.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.611 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 54.3 t80 -58.5 -49.75 76.22 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.394 -1.441 . . . . 0.0 111.836 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.978 HD23 ' HG2' ' A' ' 4' ' ' GLU . 25.8 mt -61.3 -28.33 69.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.749 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -80.21 -37.98 32.09 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.131 -0.98 . . . . 0.0 109.253 175.047 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.553 ' HE3' HD12 ' B' ' 58' ' ' ILE . 19.2 ttm -62.39 -53.18 58.7 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 31.7 tpp -62.93 -71.96 0.15 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.239 -0.913 . . . . 0.0 110.543 167.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -158.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 8.4 pt-20 . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 120.998 0.428 . . . . 0.0 112.143 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.455 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.66 -66.68 0.4 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.958 -1.089 . . . . 0.0 113.897 -164.637 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -26.9 68.68 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -172.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.414 ' CD1' ' HE2' ' B' ' 67' ' ' MET . 0.1 OUTLIER -77.75 -22.28 50.51 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.047 0.939 . . . . 0.0 111.7 170.588 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.658 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -71.84 -58.52 3.39 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -38.28 -50.28 1.44 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.312 -0.868 . . . . 0.0 113.288 160.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.89 66.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -174.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' HE2' ' CA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -68.95 -37.71 79.0 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.052 0.941 . . . . 0.0 112.104 176.497 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -83.36 -4.27 58.31 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.146 -0.971 . . . . 0.0 112.957 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mm -82.3 -44.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.4 1.08 . . . . 0.0 110.14 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.627 ' HB3' HD12 ' A' ' 30' ' ' ILE . 6.4 m-30 -67.2 -30.92 70.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.357 -0.84 . . . . 0.0 110.353 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -82.06 129.8 34.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.267 -0.896 . . . . 0.0 112.876 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -87.33 -49.89 6.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.086 -1.009 . . . . 0.0 109.382 -169.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.513 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 31.5 t30 -99.07 -27.19 13.95 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 80.1 46.67 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 159.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -88.71 -3.34 58.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.993 0.917 . . . . 0.0 112.95 157.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.1 8.67 35.78 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 120.69 -1.256 . . . . 0.0 115.339 170.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.23 158.73 23.81 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.108 -1.231 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.623 HG22 ' OE2' ' A' ' 26' ' ' GLU . 7.7 mt -101.28 131.35 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.045 -1.034 . . . . 0.0 110.28 162.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.73 173.5 6.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.196 -0.94 . . . . 0.0 112.657 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -26.76 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.228 -0.92 . . . . 0.0 110.304 173.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -33.92 64.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.978 -1.076 . . . . 0.0 113.772 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.623 ' OE2' HG22 ' A' ' 22' ' ' ILE . 1.2 pp20? -71.42 -49.59 40.25 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.811 HD13 HD13 ' B' ' 46' ' ' LEU . 7.6 tt -39.38 -58.13 1.28 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.085 1.354 . . . . 0.0 112.022 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.96 58.92 Favored Glycine 0 CA--C 1.572 3.608 0 O-C-N 121.181 -0.949 . . . . 0.0 115.094 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -30.2 46.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.274 -1.133 . . . . 0.0 113.91 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 14' ' ' PHE . 8.6 mt -59.18 -70.33 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.198 -0.939 . . . . 0.0 110.277 163.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.41 2.99 0.22 Allowed 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.104 -0.997 . . . . 0.0 111.483 -175.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -97.2 -50.32 4.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.242 -0.911 . . . . 0.0 110.89 163.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -160.695 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.06 -18.89 64.06 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -176.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.905 . . . . 0.0 112.638 162.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.626 HG22 HD21 ' A' ' 27' ' ' LEU . 1.6 mp -65.73 -33.63 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.31 -0.868 . . . . 0.0 110.271 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.48 75.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 176.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -61.22 -32.82 72.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.259 -0.901 . . . . 0.0 112.622 165.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.811 HD13 HD13 ' A' ' 27' ' ' LEU . 2.8 tm? -79.27 -44.08 22.43 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.728 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 2.9 tpt -88.11 0.07 56.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.103 -0.998 . . . . 0.0 112.18 174.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -45.67 14.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.184 -0.948 . . . . 0.0 109.751 157.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.5 -28.77 68.12 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.579 -0.701 . . . . 0.0 112.469 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -93.31 -5.42 49.72 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.251 -0.906 . . . . 0.0 113.14 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.39 109.29 3.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.841 -1.162 . . . . 0.0 112.741 -174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -68.81 -122.9 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.075 -1.016 . . . . 0.0 109.833 154.721 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -71.56 -58.92 3.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.939 -1.101 . . . . 0.0 113.212 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 59.24 97.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.227 -0.921 . . . . 0.0 113.22 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.12 -34.48 78.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.184 -0.948 . . . . 0.0 112.658 156.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.34 -30.48 0.09 OUTLIER Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.232 -0.917 . . . . 0.0 114.971 -171.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 173.99 14.47 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -1.108 . . . . 0.0 113.851 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.806 HG22 ' CB ' ' B' ' 62' ' ' GLU . 78.3 mt -109.41 154.43 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.138 -0.976 . . . . 0.0 110.183 -170.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -121.7 -160.88 0.88 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.687 158.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.703 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 2.3 t80 -72.32 -33.76 67.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.093 -1.004 . . . . 0.0 112.095 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -47.82 -82.8 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.22 0 CA-C-O 124.689 2.185 . . . . 0.0 111.305 167.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.806 ' CB ' HG22 ' B' ' 58' ' ' ILE . 1.5 mp0 -22.92 -47.5 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.536 163.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.03 -51.16 71.24 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 121.74 0.781 . . . . 0.0 112.158 -176.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -54.88 -34.69 63.28 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.732 1.613 . . . . 0.0 112.084 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -85.36 -34.32 21.83 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.978 -1.077 . . . . 0.0 109.338 -173.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.4 ttp -72.06 -29.46 64.17 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.414 ' HE2' ' CD1' ' A' ' 7' ' ' LEU . 3.9 ppp? -97.22 -30.44 12.99 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.25 -0.906 . . . . 0.0 110.551 -174.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 170.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 4.6 mt-10 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.44 -34.79 72.88 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.741 -1.224 . . . . 0.0 113.837 -154.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.618 ' HG2' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.88 -48.14 82.47 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 166.338 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.618 HD22 ' HG2' ' A' ' 6' ' ' GLU . 2.4 mt -78.07 -17.53 56.89 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.277 1.031 . . . . 0.0 111.736 -174.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -53.04 10.82 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 164.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -44.23 -49.39 9.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 113.307 164.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.546 ' O ' ' HD2' ' A' ' 14' ' ' PHE . . . -72.1 -36.89 69.59 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.602 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 89.8 t80 -69.77 -33.01 71.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.273 -0.892 . . . . 0.0 112.251 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.55 -39.85 30.9 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.084 -1.01 . . . . 0.0 112.888 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -59.96 -35.21 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.288 -0.883 . . . . 0.0 110.268 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.546 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 19.6 m-85 -66.38 -46.43 76.69 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.263 -0.898 . . . . 0.0 110.471 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -65.83 116.94 7.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.172 -0.955 . . . . 0.0 112.761 -157.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 4.2 mtpm? -57.33 -39.18 75.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.014 -1.054 . . . . 0.0 109.209 -168.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -129.44 -15.35 4.07 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -157.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.26 46.45 0.43 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -13.51 62.24 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.283 -0.886 . . . . 0.0 112.643 160.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.46 5.3 82.13 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.292 -0.88 . . . . 0.0 115.043 -160.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.6 169.25 9.2 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.326 -1.103 . . . . 0.0 111.624 173.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.815 HG22 ' CD ' ' A' ' 26' ' ' GLU . 5.8 mt -114.8 132.59 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.07 -1.019 . . . . 0.0 110.245 165.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.16 176.91 5.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.114 -0.991 . . . . 0.0 112.717 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' B' ' 47' ' ' MET . 3.4 tp -66.78 -32.61 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.17 -0.956 . . . . 0.0 110.238 169.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.61 -18.58 51.26 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -172.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.815 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.45 -46.3 70.17 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 160.575 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.74 -50.86 61.4 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.286 -0.884 . . . . 0.0 111.875 -159.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.19 -56.73 1.14 Allowed Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.113 -0.992 . . . . 0.0 115.151 166.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.71 ' HG3' ' HB1' ' A' ' 33' ' ' ALA . 2.1 tp10 -58.74 -41.94 87.63 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.35 -1.088 . . . . 0.0 113.883 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.1 -55.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.229 -0.92 . . . . 0.0 110.26 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -54.83 -44.14 73.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.92 -1.112 . . . . 0.0 111.329 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 1.3 tpt180 -82.52 -77.45 0.23 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.331 -0.856 . . . . 0.0 110.778 -170.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.71 ' HB1' ' HG3' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.896 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -170.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.903 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -16.72 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.34 -38.55 55.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.19 -0.944 . . . . 0.0 112.674 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.78 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.202 -0.936 . . . . 0.0 110.229 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -32.63 74.25 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -81.26 -38.07 27.49 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.192 0.997 . . . . 0.0 112.629 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.52 -47.43 73.12 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 166.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.567 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -73.96 -27.62 61.09 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.014 -1.054 . . . . 0.0 111.983 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -74.88 -26.21 59.5 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.284 -0.885 . . . . 0.0 109.97 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -52.11 44.98 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.936 -1.102 . . . . 0.0 112.473 160.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -69.98 -26.96 64.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.284 -0.885 . . . . 0.0 112.892 -163.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -79.95 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.222 -0.924 . . . . 0.0 112.665 -162.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.08 -149.93 0.32 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.67 -168.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -56.43 -9.46 0.71 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.978 -1.076 . . . . 0.0 113.28 168.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 m120 78.16 108.49 0.07 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.201 -0.937 . . . . 0.0 113.204 154.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.23 -43.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.218 -0.926 . . . . 0.0 112.647 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.56 -53.86 0.07 OUTLIER Glycine 0 CA--C 1.571 3.562 0 O-C-N 121.178 -0.951 . . . . 0.0 115.234 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -113.39 162.41 16.13 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.263 -1.14 . . . . 0.0 113.915 -154.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 1.001 HG22 ' HB2' ' B' ' 62' ' ' GLU . 55.5 mt -108.21 149.33 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -115.33 -178.83 3.47 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 124.179 0.991 . . . . 0.0 112.81 166.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.49 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -63.98 -37.2 86.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.752 -1.218 . . . . 0.0 112.092 -168.109 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -77.69 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.68 0 O-C-N 120.6 -1.312 . . . . 0.0 113.53 163.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 1.001 ' HB2' HG22 ' B' ' 58' ' ' ILE . 49.7 mm-40 -34.07 -42.59 0.13 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.602 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -54.73 -45.96 74.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.723 -1.235 . . . . 0.0 111.974 177.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.548 ' CD2' HD11 ' A' ' 7' ' ' LEU . 51.8 mt -64.09 -43.44 95.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.268 -0.895 . . . . 0.0 111.8 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -20.13 25.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 -171.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.472 ' HE3' HD12 ' B' ' 58' ' ' ILE . 1.2 ttm -68.98 -47.39 65.7 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 163.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 24.1 ttm -59.82 -47.01 87.45 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.219 -0.925 . . . . 0.0 110.541 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 174.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.2 pt-20 . . . . . 0 N--CA 1.498 1.942 0 CA-C-O 121.156 0.503 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.05 -57.69 11.08 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -163.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.6 -22.45 62.54 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.791 HD11 HD22 ' B' ' 64' ' ' LEU . 4.4 mt -87.85 -21.42 25.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 111.766 174.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.7 -51.58 18.75 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 165.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -51.03 -42.82 60.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.236 -0.915 . . . . 0.0 113.212 163.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -68.96 -38.65 79.55 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 177.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.853 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 45.3 t80 -75.38 -33.4 61.01 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.247 -0.908 . . . . 0.0 112.196 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.33 -62.5 1.68 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.149 -0.97 . . . . 0.0 112.925 158.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -59.49 -30.35 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 -165.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.855 ' CE2' HG23 ' A' ' 30' ' ' ILE . 5.7 m-30 -57.16 -58.17 9.37 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 124.022 0.929 . . . . 0.0 110.465 170.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.53 134.89 46.79 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 112.812 -168.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG2' ' OE1' ' A' ' 26' ' ' GLU . 3.0 mmmm -82.12 -38.1 25.29 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.124 -0.985 . . . . 0.0 109.391 -168.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -108.83 -21.15 12.8 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 77.51 43.22 0.11 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 161.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.88 -15.62 61.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.199 -0.938 . . . . 0.0 112.804 157.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.96 20.54 46.14 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.073 -1.017 . . . . 0.0 115.111 -175.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.3 161.26 20.73 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.288 -1.125 . . . . 0.0 111.713 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.46 161.11 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.236 -0.915 . . . . 0.0 110.282 165.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -120.53 163.87 17.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.093 -1.004 . . . . 0.0 112.644 169.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.756 HD12 ' CG ' ' B' ' 47' ' ' MET . 0.2 OUTLIER -57.51 -36.3 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.308 -0.87 . . . . 0.0 110.154 175.025 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.29 -33.34 69.63 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.659 ' O ' HD13 ' A' ' 30' ' ' ILE . 18.6 mt-10 -77.84 -37.53 48.24 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 173.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.766 HD22 HG22 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -43.92 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.224 -0.922 . . . . 0.0 111.903 -179.021 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.74 -40.72 6.78 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.114 -0.991 . . . . 0.0 115.153 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.53 -29.92 56.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.273 -1.133 . . . . 0.0 113.884 -177.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.855 HG23 ' CE2' ' A' ' 14' ' ' PHE . 6.0 mt -52.94 -64.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.25 -0.906 . . . . 0.0 110.199 161.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.54 -47.54 63.37 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 121.089 -1.007 . . . . 0.0 111.403 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -31.96 14.93 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -164.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -33.36 71.62 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.17 -41.11 50.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.185 -0.947 . . . . 0.0 112.647 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.766 HG22 HD22 ' A' ' 27' ' ' LEU . 6.0 mt -52.31 -51.61 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.11 -0.994 . . . . 0.0 110.134 170.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -36.13 79.37 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.52 -32.56 72.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.31 -0.869 . . . . 0.0 112.683 173.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.59 -45.98 91.82 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 164.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.756 ' CG ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -82.88 -3.69 57.2 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.128 -0.982 . . . . 0.0 112.181 -176.238 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 -45.16 7.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.211 -0.931 . . . . 0.0 109.854 162.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.44 -40.57 85.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.599 -0.688 . . . . 0.0 112.449 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -79.63 -15.9 56.78 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.323 -0.861 . . . . 0.0 112.959 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.65 -176.34 1.93 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.147 -0.971 . . . . 0.0 112.701 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 -124.17 0.09 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.161 -0.962 . . . . 0.0 109.892 -162.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -77.73 19.41 0.39 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 m120 79.54 36.74 0.14 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.277 1.031 . . . . 0.0 113.149 156.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 64.21 8.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.25 -0.906 . . . . 0.0 112.481 154.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -40.91 -37.72 1.46 Allowed Glycine 0 CA--C 1.572 3.604 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 -160.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.47 136.21 55.36 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.177 -1.19 . . . . 0.0 113.783 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.787 HG22 ' CB ' ' B' ' 62' ' ' GLU . 63.0 mt -103.19 152.39 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.156 -0.965 . . . . 0.0 110.156 -155.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.73 -174.75 2.75 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.126 -0.984 . . . . 0.0 112.745 169.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -47.79 82.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.95 -1.094 . . . . 0.0 112.183 -164.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -77.72 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.779 0 O-C-N 120.953 -1.092 . . . . 0.0 113.843 166.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.787 ' CB ' HG22 ' B' ' 58' ' ' ILE . 0.8 OUTLIER -26.82 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.68 1.192 . . . . 0.0 113.778 172.098 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.853 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 1.8 t80 -55.68 -55.13 35.84 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.408 -0.807 . . . . 0.0 112.309 176.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.791 HD22 HD11 ' A' ' 7' ' ' LEU . 30.6 mt -57.37 -33.36 67.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.206 -0.934 . . . . 0.0 111.771 -173.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -40.27 15.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 176.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.75 ' HE3' HD11 ' A' ' 27' ' ' LEU . 3.9 tmm? -57.44 -20.44 30.36 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 172.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.55 ' CE ' HD12 ' A' ' 7' ' ' LEU . 7.7 ttp -97.0 -45.52 6.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.234 -0.916 . . . . 0.0 110.545 174.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -175.309 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.6 mt-10 . . . . . 0 CA--C 1.576 1.944 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -22.15 -61.84 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 125.953 1.701 . . . . 0.0 115.192 -163.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -12.59 33.76 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.929 -1.107 . . . . 0.0 113.941 -164.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.7 mt -86.52 -24.47 25.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.072 -1.017 . . . . 0.0 111.707 164.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.33 70.84 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 163.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.79 -39.38 91.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.201 -0.937 . . . . 0.0 113.313 166.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -61.21 -41.89 97.64 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 87.7 t80 -73.94 -37.19 64.64 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 112.05 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.816 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -71.51 -40.16 70.31 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.286 -0.884 . . . . 0.0 112.959 170.173 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.4 -29.95 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.148 -0.97 . . . . 0.0 110.304 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.7 ' HD1' HD13 ' A' ' 30' ' ' ILE . 2.4 m-30 -68.39 -43.55 77.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.259 -0.9 . . . . 0.0 110.347 174.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -70.7 107.09 3.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.162 -0.961 . . . . 0.0 112.84 -166.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 20.08 6.25 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.181 -0.949 . . . . 0.0 110.192 -172.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.48 -19.08 0.48 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.28 45.09 3.02 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 159.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.07 -22.64 42.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.2 -0.937 . . . . 0.0 112.612 154.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.74 -19.56 4.71 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.23 -0.919 . . . . 0.0 115.342 -171.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -105.85 167.75 9.57 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.272 -1.134 . . . . 0.0 111.749 -157.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.524 HG22 ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -101.22 128.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -0.916 . . . . 0.0 110.262 158.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -110.82 177.58 4.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.153 -0.967 . . . . 0.0 112.758 -168.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.11 -31.39 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.18 -0.95 . . . . 0.0 110.293 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -29.41 54.43 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.34 -50.78 43.18 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD21 HD22 ' A' ' 31' ' ' LEU . 1.8 tm? -38.68 -55.49 1.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.409 1.484 . . . . 0.0 112.102 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.87 -36.99 12.16 Favored Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.094 -1.004 . . . . 0.0 115.095 -167.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.64 -45.6 89.47 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.191 -1.182 . . . . 0.0 113.881 169.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.7 HD13 ' HD1' ' A' ' 14' ' ' PHE . 1.4 mm -62.33 -65.43 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.153 -0.967 . . . . 0.0 110.274 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD22 HD21 ' A' ' 27' ' ' LEU . 3.3 pp -49.48 -22.86 1.32 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.217 -0.927 . . . . 0.0 111.539 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -84.18 -81.45 0.18 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.249 -0.907 . . . . 0.0 110.796 166.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.909 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -160.211 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.3 -25.7 64.36 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -50.6 -60.95 2.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.188 -0.945 . . . . 0.0 112.615 162.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.37 -41.19 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.017 -1.052 . . . . 0.0 110.283 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -36.03 60.3 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -171.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.04 -26.58 65.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.314 -0.866 . . . . 0.0 112.66 166.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 tp -74.73 -46.35 37.97 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 172.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.769 ' HE1' HD13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -69.19 -9.02 50.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.053 -1.029 . . . . 0.0 112.051 169.351 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -91.51 -27.89 17.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.296 -0.878 . . . . 0.0 110.26 168.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -67.03 -57.74 6.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.114 -0.991 . . . . 0.0 112.388 171.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.6 m -67.79 -38.42 83.33 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.157 -0.965 . . . . 0.0 112.905 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.02 149.45 46.59 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.193 -0.942 . . . . 0.0 112.678 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -109.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.116 -0.99 . . . . 0.0 110.036 159.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -71.9 -20.33 61.8 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.881 -1.137 . . . . 0.0 113.426 -154.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 m120 63.95 72.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.214 -0.929 . . . . 0.0 113.274 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 8.18 37.88 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.235 -0.916 . . . . 0.0 112.899 157.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.35 -6.54 55.85 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 120.532 -1.355 . . . . 0.0 115.383 162.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -157.29 141.65 16.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.05 -1.265 . . . . 0.0 113.851 -164.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' B' ' 62' ' ' GLU . 73.9 mt -108.53 126.41 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.141 -0.974 . . . . 0.0 110.191 -163.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -98.65 176.86 5.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.082 -1.011 . . . . 0.0 112.759 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.573 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 67.1 t80 -65.17 -33.76 76.77 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.993 -1.067 . . . . 0.0 112.029 -161.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.677 0 O-C-N 120.66 -1.275 . . . . 0.0 113.541 159.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.928 ' HB2' HG22 ' B' ' 58' ' ' ILE . 24.9 mt-10 -44.41 -20.46 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.778 ' HD1' ' HE3' ' B' ' 66' ' ' MET . 6.2 t80 -63.4 -58.03 8.38 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.728 -1.858 . . . . 0.0 112.023 163.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.95 -23.05 51.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.23 -0.919 . . . . 0.0 111.705 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -92.17 -35.14 14.01 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.182 -0.949 . . . . 0.0 109.475 172.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.778 ' HE3' ' HD1' ' B' ' 63' ' ' PHE . 3.9 ttt -59.86 -12.71 8.13 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 169.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.484 ' CE ' HD22 ' A' ' 7' ' ' LEU . 3.8 mtt -87.6 -54.75 4.11 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.998 0.919 . . . . 0.0 110.562 154.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -156.336 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.255 3.0 mp0 . . . . . 0 N--CA 1.498 1.95 0 CA-C-O 121.218 0.532 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.24 -62.19 1.79 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -160.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.52 -21.43 18.88 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.41 -25.45 62.34 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.241 1.017 . . . . 0.0 111.823 163.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -50.7 17.9 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -46.1 -46.65 17.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.216 -0.928 . . . . 0.0 113.309 161.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.13 61.45 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.817 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 67.7 t80 -70.01 -32.19 70.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.344 -0.848 . . . . 0.0 112.023 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -39.31 61.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.021 0.928 . . . . 0.0 112.99 168.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -56.65 -37.54 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.102 -0.999 . . . . 0.0 110.269 174.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.622 ' CD2' ' HE1' ' B' ' 63' ' ' PHE . 2.6 m-30 -62.78 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.259 -0.901 . . . . 0.0 110.385 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -48.86 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.207 -0.933 . . . . 0.0 112.85 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 22.32 0.81 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.147 -0.97 . . . . 0.0 109.755 -163.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.04 -33.4 0.29 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 82.03 55.51 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 154.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -72.81 -6.18 43.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.214 -0.929 . . . . 0.0 112.944 154.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.36 10.6 44.29 Favored Glycine 0 CA--C 1.572 3.62 0 O-C-N 120.682 -1.261 . . . . 0.0 115.356 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -113.98 165.62 12.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.093 -1.239 . . . . 0.0 111.614 175.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.62 161.23 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 C-N-CA 124.269 1.027 . . . . 0.0 110.222 161.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -135.37 166.64 22.69 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 112.723 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.18 -27.12 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.288 -0.883 . . . . 0.0 110.278 -173.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.52 -36.19 78.53 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.087 -1.008 . . . . 0.0 113.695 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' HD11 ' A' ' 30' ' ' ILE . 76.1 mt-10 -71.42 -23.86 61.93 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 175.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.984 HD22 HG22 ' B' ' 43' ' ' ILE . 8.2 tp -59.9 -34.35 73.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.165 -0.96 . . . . 0.0 111.923 -170.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.25 -27.59 36.2 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.095 -1.003 . . . . 0.0 115.074 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.505 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -79.78 -40.36 28.85 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.271 -1.134 . . . . 0.0 113.862 171.017 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.406 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -41.36 -63.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.01 -1.057 . . . . 0.0 110.11 159.261 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.5 pp -80.96 -12.92 59.3 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.724 -165.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.57 32.82 5.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.211 -0.931 . . . . 0.0 110.831 172.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 165.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.89 -34.48 78.05 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.18 -37.67 32.81 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.258 -0.901 . . . . 0.0 112.668 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.984 HG22 HD22 ' A' ' 27' ' ' LEU . 3.6 mm -58.84 -45.99 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.166 -0.959 . . . . 0.0 110.189 168.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.8 86.5 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -175.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' B' ' 48' ' ' LYS . 1.2 m-20 -70.73 -34.86 72.34 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.872 0.869 . . . . 0.0 112.664 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.665 HD23 HD23 ' A' ' 27' ' ' LEU . 8.1 tt -56.67 -48.24 78.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.526 ' HE3' HG13 ' B' ' 58' ' ' ILE . 5.8 ttt -99.09 15.26 26.46 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.874 -1.142 . . . . 0.0 112.116 -171.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -102.13 -34.43 9.29 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.982 0.913 . . . . 0.0 109.97 156.106 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.21 -40.58 86.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.639 -0.663 . . . . 0.0 112.489 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.71 -33.01 20.15 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 112.887 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -82.56 106.59 14.54 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.189 -0.945 . . . . 0.0 112.687 -157.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.64 26.6 8.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 155.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -81.22 18.75 1.03 Allowed 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 162.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m120 62.51 105.9 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 124.25 1.02 . . . . 0.0 113.022 -167.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -18.21 33.98 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.284 1.034 . . . . 0.0 112.767 -154.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -41.2 -57.53 3.05 Favored Glycine 0 CA--C 1.571 3.578 0 O-C-N 121.189 -0.944 . . . . 0.0 115.11 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -162.57 154.13 18.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.226 -1.161 . . . . 0.0 114.122 -167.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.914 HG22 ' HB2' ' B' ' 62' ' ' GLU . 14.7 mt -106.48 161.74 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 124.199 1.0 . . . . 0.0 110.249 -178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -137.8 -175.22 4.01 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.014 -1.054 . . . . 0.0 112.837 172.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.463 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -64.46 -30.68 71.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.774 -1.204 . . . . 0.0 112.066 -162.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -48.05 -84.09 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 125.016 2.341 . . . . 0.0 111.245 167.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.914 ' HB2' HG22 ' B' ' 58' ' ' ILE . 17.5 mm-40 -26.35 -35.49 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 113.818 -1.537 . . . . 0.0 113.845 167.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.817 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 55.1 t80 -59.29 -55.96 28.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.991 -1.068 . . . . 0.0 111.691 173.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.6 mt -50.44 -40.08 49.46 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.651 1.18 . . . . 0.0 111.8 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.91 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -84.26 -33.18 24.09 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.982 -1.074 . . . . 0.0 109.423 -170.354 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.3 ttp -81.85 -23.89 36.12 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptm -89.2 -28.74 19.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.253 -0.904 . . . . 0.0 110.585 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 179.242 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 1.9 mt-10 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 121.065 0.459 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -56.65 5.7 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -156.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.09 -50.07 72.05 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -37.54 49.42 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.216 -0.927 . . . . 0.0 111.691 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -60.27 2.33 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -41.9 -48.84 4.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.318 -0.864 . . . . 0.0 113.293 169.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.81 84.5 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.462 ' HE2' ' O ' ' A' ' 20' ' ' GLY . 74.0 t80 -71.58 -30.67 66.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.294 -0.879 . . . . 0.0 112.138 -175.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -77.11 -38.48 52.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 112.929 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.28 -27.03 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.281 -0.887 . . . . 0.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -76.7 -47.78 20.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.285 -0.885 . . . . 0.0 110.396 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -73.24 96.11 2.22 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.219 -0.925 . . . . 0.0 112.837 -165.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 26.07 4.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.192 -0.942 . . . . 0.0 109.528 -168.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -129.43 -37.86 1.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.94 41.03 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 154.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.48 -23.6 67.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.209 -0.932 . . . . 0.0 112.658 155.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 11' ' ' PHE . . . 135.1 -40.18 1.59 Allowed Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.235 -0.916 . . . . 0.0 115.213 -166.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.37 162.63 31.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.351 -1.088 . . . . 0.0 111.788 -160.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -104.5 148.96 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.873 1.269 . . . . 0.0 110.215 -165.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -127.13 164.76 20.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.101 -0.999 . . . . 0.0 112.73 -177.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -23.1 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.297 -0.877 . . . . 0.0 110.299 -175.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.12 -36.92 55.14 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 171.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.695 ' O ' HD11 ' A' ' 30' ' ' ILE . 78.2 mt-10 -68.63 -25.28 64.77 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 27' ' ' LEU . 2.5 tm? -65.07 -58.6 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.216 -0.928 . . . . 0.0 111.833 -170.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.67 -37.21 33.65 Favored Glycine 0 CA--C 1.571 3.594 0 O-C-N 121.118 -0.988 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.647 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 10.3 mt-10 -79.55 -22.24 44.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.233 -1.157 . . . . 0.0 113.881 -177.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.53 -67.01 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -0.959 . . . . 0.0 110.23 155.385 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.61 HD23 HG12 ' B' ' 43' ' ' ILE . 3.7 pp -69.48 -20.01 63.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.099 -1.001 . . . . 0.0 111.75 -167.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.582 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -129.89 27.33 5.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.166 -0.959 . . . . 0.0 110.841 178.464 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.647 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.889 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 165.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -19.62 64.83 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 172.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -72.03 -43.76 64.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.243 -0.911 . . . . 0.0 112.686 166.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.61 HG12 HD23 ' A' ' 31' ' ' LEU . 2.0 mp -53.05 -55.52 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.043 -1.036 . . . . 0.0 110.124 169.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -36.27 83.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.076 -1.015 . . . . 0.0 113.723 -173.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.74 -36.58 84.35 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.292 -0.88 . . . . 0.0 112.683 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.84 -46.15 72.61 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.717 ' C ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -83.96 -18.74 36.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.053 -1.029 . . . . 0.0 112.1 -174.415 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.717 ' HE3' ' C ' ' B' ' 47' ' ' MET . 0.0 OUTLIER -84.69 -39.13 18.92 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 109.81 173.45 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.535 -0.728 . . . . 0.0 112.465 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 32.2 t -65.34 -58.35 6.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.25 -0.906 . . . . 0.0 112.884 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.18 154.06 13.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.24 -0.912 . . . . 0.0 112.648 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' B' ' 52' ' ' LYS . 0.1 OUTLIER -95.76 -122.89 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.209 -0.932 . . . . 0.0 109.939 -177.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -70.2 5.99 1.47 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.024 -1.048 . . . . 0.0 113.546 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 67.79 81.73 0.19 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.88 -1.137 . . . . 0.0 113.252 165.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.97 -38.78 22.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.211 -0.931 . . . . 0.0 112.652 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.85 7.9 0.7 Allowed Glycine 0 CA--C 1.571 3.57 0 O-C-N 121.211 -0.931 . . . . 0.0 115.366 159.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.4 167.07 22.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.209 -1.171 . . . . 0.0 114.046 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.693 HD11 ' HE1' ' B' ' 47' ' ' MET . 73.4 mt -114.44 129.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.096 0.958 . . . . 0.0 110.29 160.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -120.96 175.78 5.89 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.309 -1.494 . . . . 0.0 112.794 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.09 -33.77 69.44 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.76 -1.213 . . . . 0.0 111.992 -155.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -78.24 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 O-C-N 120.779 -1.201 . . . . 0.0 113.702 161.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.681 ' HB2' HG22 ' B' ' 58' ' ' ILE . 5.9 mt-10 -35.64 -30.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.834 ' HD1' ' HE2' ' B' ' 66' ' ' MET . 22.1 t80 -62.44 -50.55 71.05 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.35 -1.469 . . . . 0.0 111.848 172.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.45 -23.83 67.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.294 -0.879 . . . . 0.0 111.809 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -87.35 -53.54 4.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.148 -0.97 . . . . 0.0 109.357 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.834 ' HE2' ' HD1' ' B' ' 63' ' ' PHE . 0.9 OUTLIER -41.05 -42.06 1.85 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 177.482 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 32.9 ttm -96.91 -52.47 3.86 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.29 -0.881 . . . . 0.0 110.611 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -165.537 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 26.9 mp0 . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 121.176 0.512 . . . . 0.0 111.791 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.76 -55.86 29.59 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.459 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 1.6 mm-40 -91.27 -21.78 20.9 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.446 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.618 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 2.5 mt -81.52 -22.09 38.16 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.075 0.95 . . . . 0.0 111.709 169.258 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.67 29.79 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 167.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -54.77 -38.14 66.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.262 -0.899 . . . . 0.0 113.268 158.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.618 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -75.33 -47.65 26.77 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.802 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 52.3 t80 -65.85 -34.93 79.27 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 123.698 0.799 . . . . 0.0 112.143 175.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -66.9 -48.34 69.01 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.296 1.038 . . . . 0.0 112.952 170.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -67.91 -32.14 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 C-N-CA 124.173 0.989 . . . . 0.0 110.288 -169.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.39 -62.97 1.39 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 165.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -47.65 144.43 3.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.099 -1.001 . . . . 0.0 112.822 -169.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -119.4 38.92 3.73 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.095 -1.003 . . . . 0.0 109.206 -173.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.13 -26.71 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 170.001 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.86 40.43 0.19 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 160.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -93.09 9.59 35.22 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.264 -0.897 . . . . 0.0 112.84 156.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 23.31 60.79 Favored Glycine 0 CA--C 1.572 3.619 0 O-C-N 120.928 -1.107 . . . . 0.0 115.067 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -114.14 168.87 9.45 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.185 -1.185 . . . . 0.0 111.702 169.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.679 HG22 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -131.94 116.32 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 C-N-CA 124.303 1.041 . . . . 0.0 110.213 174.731 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.06 162.27 13.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.921 -1.112 . . . . 0.0 112.72 -168.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 6.4 tt -51.98 -32.34 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.0 110.052 168.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.35 -19.62 56.03 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.679 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.82 -49.37 62.61 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 164.143 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' HD22 ' A' ' 31' ' ' LEU . 5.9 tp -42.03 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.648 1.579 . . . . 0.0 112.099 -169.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.31 -39.73 7.42 Favored Glycine 0 CA--C 1.571 3.577 0 O-C-N 121.143 -0.973 . . . . 0.0 115.155 -162.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.86 -34.99 44.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.273 -1.134 . . . . 0.0 113.9 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mm -50.6 -72.66 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.172 159.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 32' ' ' ARG . 3.1 pp -55.33 -27.24 45.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 111.587 -167.369 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.488 ' N ' HD13 ' A' ' 31' ' ' LEU . 8.1 tpm_? -86.29 -73.86 0.44 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.262 -0.899 . . . . 0.0 110.86 178.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -155.518 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -68.81 -45.03 72.28 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -56.63 -40.19 74.98 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.204 -0.935 . . . . 0.0 112.671 168.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.13 -61.6 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.228 -0.92 . . . . 0.0 110.179 176.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -29.72 70.77 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -172.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -73.31 -29.4 62.67 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.96 0.904 . . . . 0.0 112.703 172.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.14 -47.68 41.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 173.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.548 ' HE3' HG13 ' B' ' 58' ' ' ILE . 15.3 tpt -64.28 -40.36 95.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.027 -1.046 . . . . 0.0 112.109 175.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -23.44 36.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.187 -173.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -67.09 -47.58 70.81 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.614 -1.304 . . . . 0.0 112.501 162.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.1 t -69.41 -35.17 75.49 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.097 -1.002 . . . . 0.0 112.718 -166.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.421 ' HB3' ' ND2' ' B' ' 54' ' ' ASN . 15.8 t0 -74.51 160.78 30.47 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.171 -0.956 . . . . 0.0 112.68 -170.078 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -63.7 -135.79 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.177 -0.952 . . . . 0.0 109.812 162.845 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 6.06 1.42 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.69 -1.256 . . . . 0.0 113.493 -165.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' B' ' 51' ' ' ASP . 1.2 m120 70.93 58.19 0.2 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.849 -1.157 . . . . 0.0 113.265 165.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.14 -55.14 11.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 112.629 159.128 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.01 -24.44 0.25 Allowed Glycine 0 CA--C 1.571 3.587 0 O-C-N 121.216 -0.927 . . . . 0.0 115.135 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.72 157.78 20.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.288 -1.125 . . . . 0.0 113.874 -162.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.819 HG22 ' HB2' ' B' ' 62' ' ' GLU . 80.4 mt -108.52 146.75 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.205 -0.934 . . . . 0.0 110.228 176.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -109.25 -173.8 2.35 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.129 0.972 . . . . 0.0 112.785 174.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.554 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -71.05 -41.24 71.02 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.76 -1.213 . . . . 0.0 112.01 -170.429 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -79.49 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 O-C-N 120.575 -1.328 . . . . 0.0 113.514 162.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.819 ' HB2' HG22 ' B' ' 58' ' ' ILE . 12.9 mt-10 -37.4 -30.43 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.352 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.802 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 58.9 t80 -58.44 -54.96 41.17 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.212 -1.555 . . . . 0.0 111.921 170.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.7 mt -53.86 -34.49 59.53 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 124.031 0.932 . . . . 0.0 111.695 176.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -78.93 -54.21 6.28 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.216 -0.928 . . . . 0.0 109.296 178.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' B' ' 66' ' ' MET . 1.8 ttm -45.91 -20.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 172.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 47.8 ttm -93.35 -71.7 0.64 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.119 -0.988 . . . . 0.0 110.527 175.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -167.538 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 121.147 0.499 . . . . 0.0 111.826 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.64 -19.76 62.64 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.75 -44.52 9.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -175.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.633 HD21 HD22 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -0.944 . . . . 0.0 111.703 163.239 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.92 -67.16 0.46 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -37.7 -55.02 1.18 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.98 0.912 . . . . 0.0 113.289 160.149 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -62.34 -42.24 99.22 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -178.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 65.7 t80 -70.36 -33.14 71.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.151 -0.968 . . . . 0.0 112.103 177.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -70.7 -38.28 73.66 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.117 -0.989 . . . . 0.0 112.902 171.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -82.21 -31.61 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.117 -0.99 . . . . 0.0 110.178 -166.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -57.94 -36.83 73.07 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 124.026 0.93 . . . . 0.0 110.471 168.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.71 156.33 37.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.137 -0.977 . . . . 0.0 112.761 -172.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -103.85 -66.65 0.94 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.176 -0.952 . . . . 0.0 109.301 162.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -79.67 -40.49 28.95 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 -159.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 82.31 56.43 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 155.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -98.55 22.27 10.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.216 -0.927 . . . . 0.0 112.713 155.575 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.64 9.64 68.58 Favored Glycine 0 CA--C 1.573 3.667 0 O-C-N 121.174 -0.954 . . . . 0.0 115.05 169.065 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 156.98 27.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.331 -1.099 . . . . 0.0 111.679 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.05 139.61 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.227 161.603 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.25 171.06 8.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.175 -0.953 . . . . 0.0 112.713 -171.06 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 tt -72.36 -31.05 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.265 -0.897 . . . . 0.0 110.206 -174.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -31.85 68.85 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.547 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.54 -19.83 57.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 171.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD2' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -70.26 -71.98 0.22 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.257 -0.902 . . . . 0.0 111.865 -165.808 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.32 -26.65 0.21 Allowed Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.181 -0.949 . . . . 0.0 115.17 165.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.69 -46.02 20.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.262 -1.14 . . . . 0.0 113.862 -172.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mm -54.62 -57.64 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.229 161.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 27' ' ' LEU . 2.0 mt -81.7 6.07 16.43 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 121.023 -1.048 . . . . 0.0 111.493 -171.053 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.98 42.13 0.45 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.203 -0.935 . . . . 0.0 110.842 167.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.894 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -13.08 25.41 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -79.02 -43.97 23.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.236 -0.915 . . . . 0.0 112.648 175.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.493 HG22 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -59.77 -41.86 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.201 -0.937 . . . . 0.0 110.199 167.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.557 ' CD ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -74.89 -30.65 61.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.075 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.25 -28.86 64.46 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.944 0.897 . . . . 0.0 112.755 166.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tp -72.11 -42.89 65.55 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 173.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.72 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 7.5 tpt -92.08 12.05 23.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.156 -0.965 . . . . 0.0 112.107 171.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.557 ' HE3' ' CD ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -91.49 -43.1 9.89 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.28 -0.888 . . . . 0.0 109.907 159.803 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.46 -45.94 74.5 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.509 -0.744 . . . . 0.0 112.469 176.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.8 t -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.295 -0.878 . . . . 0.0 112.89 -177.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 161.57 19.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.259 -0.901 . . . . 0.0 112.656 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -117.6 -119.12 0.31 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.193 -0.942 . . . . 0.0 109.924 -178.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -79.03 20.28 0.49 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 161.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 76.29 41.54 0.21 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.894 1.278 . . . . 0.0 113.169 163.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.97 59.29 4.27 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.432 1.093 . . . . 0.0 112.527 153.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -45.65 -28.52 2.54 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.24 -0.912 . . . . 0.0 115.24 -161.04 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.68 126.1 26.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -1.171 . . . . 0.0 113.838 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.972 HG22 ' HB2' ' B' ' 62' ' ' GLU . 42.9 mt -105.1 148.02 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 124.118 0.967 . . . . 0.0 110.171 -161.387 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -116.99 -173.38 2.39 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.25 1.02 . . . . 0.0 112.839 171.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -58.08 -36.18 72.46 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.91 -1.119 . . . . 0.0 112.128 -171.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.28 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.898 2.285 . . . . 0.0 111.381 173.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.972 ' HB2' HG22 ' B' ' 58' ' ' ILE . 4.3 mm-40 -23.96 -38.48 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 125.617 1.567 . . . . 0.0 113.768 166.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.573 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 50.4 t80 -61.78 -54.01 48.12 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.337 -0.852 . . . . 0.0 112.063 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.633 HD22 HD21 ' A' ' 7' ' ' LEU . 42.8 mt -55.78 -31.97 63.07 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.095 0.958 . . . . 0.0 111.874 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -85.08 -45.98 11.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.057 -1.027 . . . . 0.0 109.385 178.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -56.92 -29.91 63.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.6 ttp -87.18 -71.75 0.55 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.177 -0.952 . . . . 0.0 110.597 165.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -162.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 24.5 tt0 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.165 0.507 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 7.4 tt0 -45.73 -62.97 1.08 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -170.084 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.64 -13.81 44.49 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -164.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.744 HD12 ' HE3' ' B' ' 67' ' ' MET . 0.1 OUTLIER -77.75 -28.21 50.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 111.721 162.454 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -66.89 -61.19 2.07 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -43.39 -46.4 6.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.238 165.214 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -60.55 -36.15 77.77 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.696 ' HD1' HD13 ' A' ' 22' ' ' ILE . 13.1 t80 -71.33 -32.87 69.1 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.204 -0.935 . . . . 0.0 112.121 -176.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.06 -33.46 38.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.172 -0.955 . . . . 0.0 112.924 169.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -68.51 -33.86 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.165 0.986 . . . . 0.0 110.249 -175.255 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.756 ' HE2' HG23 ' A' ' 30' ' ' ILE . 23.5 m-85 -56.59 -53.05 62.12 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 159.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -71.02 142.04 50.93 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.14 -0.975 . . . . 0.0 112.753 -161.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.93 -57.08 10.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.089 -1.007 . . . . 0.0 109.161 -173.718 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -131.91 7.21 4.35 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -163.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.44 52.96 2.23 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 157.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -86.74 -8.54 57.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.237 -0.914 . . . . 0.0 112.748 164.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.68 -19.33 7.5 Favored Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.118 -0.989 . . . . 0.0 115.244 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -112.43 161.35 16.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.253 -1.146 . . . . 0.0 111.738 -163.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.757 HG22 ' CD ' ' A' ' 26' ' ' GLU . 92.5 mt -120.13 131.43 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.149 -0.97 . . . . 0.0 110.275 165.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -110.09 176.39 5.07 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 112.767 -166.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -27.6 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.144 -0.972 . . . . 0.0 110.255 171.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -70.22 -37.16 74.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.942 -1.099 . . . . 0.0 113.716 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.757 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -74.17 -49.78 22.11 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.682 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD21 HG22 ' B' ' 43' ' ' ILE . 8.1 tt -46.86 -58.09 4.27 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 125.333 1.453 . . . . 0.0 111.952 -170.295 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.95 -35.54 32.52 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.108 -0.995 . . . . 0.0 115.072 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -80.56 -28.42 37.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.263 -1.14 . . . . 0.0 113.877 177.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.756 HG23 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -54.83 -63.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.27 -0.894 . . . . 0.0 110.196 165.055 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' CD1' HD13 ' B' ' 43' ' ' ILE . 1.7 mt -53.75 -43.41 69.11 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 121.082 -1.012 . . . . 0.0 111.296 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -85.18 -57.9 2.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.443 -0.786 . . . . 0.0 110.836 -171.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 -159.824 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -66.34 -38.0 86.62 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.15 -43.07 75.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.168 -0.958 . . . . 0.0 112.62 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.505 HG22 HD21 ' A' ' 27' ' ' LEU . 1.7 mp -63.18 -52.3 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.173 -0.954 . . . . 0.0 110.24 172.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -40.42 96.19 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -63.92 -44.19 93.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.33 -0.856 . . . . 0.0 112.683 174.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . 0.405 ' HA ' HD21 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -71.64 -49.32 41.1 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -176.732 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.557 ' HE3' HG13 ' B' ' 58' ' ' ILE . 1.9 tpt -65.38 -43.87 89.35 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.943 -1.098 . . . . 0.0 112.078 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.23 -19.8 29.43 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.324 -0.86 . . . . 0.0 110.313 -169.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.9 -53.51 31.37 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.509 -1.37 . . . . 0.0 112.45 159.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -64.66 -16.73 63.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.271 -0.893 . . . . 0.0 112.881 -178.191 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.51 149.67 42.11 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.13 -0.981 . . . . 0.0 112.612 -174.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -142.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.134 -0.979 . . . . 0.0 110.081 156.452 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -74.78 13.21 0.67 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.977 -1.077 . . . . 0.0 113.468 -162.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 75.48 35.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.02 -1.05 . . . . 0.0 113.215 159.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.5 54.33 1.89 Allowed 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.25 1.02 . . . . 0.0 112.616 154.454 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.85 74.84 0.28 Allowed Glycine 0 CA--C 1.572 3.634 0 O-C-N 121.171 -0.956 . . . . 0.0 115.106 -162.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -42.12 154.58 0.05 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.29 -1.124 . . . . 0.0 113.879 165.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 1.033 HG22 ' HB2' ' B' ' 62' ' ' GLU . 23.1 mt -94.95 145.04 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.464 1.106 . . . . 0.0 110.234 -161.22 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.52 -174.57 2.59 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.13 0.972 . . . . 0.0 112.829 173.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.62 -35.15 78.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.86 -1.15 . . . . 0.0 111.925 -169.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -83.98 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 125.031 2.348 . . . . 0.0 111.363 168.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 1.033 ' HB2' HG22 ' B' ' 58' ' ' ILE . 4.5 mm-40 -25.74 -35.63 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 CA-C-N 113.847 -1.524 . . . . 0.0 113.865 166.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.638 ' HD2' ' CD1' ' A' ' 11' ' ' PHE . 1.9 t80 -62.72 -55.23 28.55 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.032 -1.042 . . . . 0.0 112.015 173.569 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.5 -38.27 71.55 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 123.906 0.882 . . . . 0.0 111.824 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -24.06 34.4 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.079 -1.013 . . . . 0.0 109.369 -176.693 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.8 ttp -71.13 -43.84 66.8 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 177.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.744 ' HE3' HD12 ' A' ' 7' ' ' LEU . 7.0 ptt? -113.09 15.06 19.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.035 -1.041 . . . . 0.0 110.653 -176.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.497 1.909 0 C-N-CA 124.761 1.225 . . . . 0.0 113.924 157.642 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.907 0 CA-C-O 120.943 0.401 . . . . 0.0 112.062 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.59 -65.53 0.67 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.7 -51.39 68.99 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -54.08 49.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.26 -0.9 . . . . 0.0 111.747 -177.186 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' B' ' 60' ' ' PHE . . . -71.67 -39.32 70.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -175.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -42.7 -50.49 5.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.278 -0.889 . . . . 0.0 113.241 157.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.82 61.41 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.437 ' HB2' ' CE2' ' B' ' 63' ' ' PHE . 80.7 t80 -76.46 -34.07 58.72 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.271 -0.893 . . . . 0.0 112.143 -178.265 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -70.62 -38.08 73.88 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.248 -0.908 . . . . 0.0 112.914 165.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mm -72.07 -31.56 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -174.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -65.77 -49.73 67.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.333 -0.854 . . . . 0.0 110.479 163.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.77 136.93 56.87 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.164 -0.96 . . . . 0.0 112.746 -162.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -115.74 -36.32 4.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.108 -0.995 . . . . 0.0 109.228 -162.696 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -95.73 -29.28 14.36 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.09 52.24 0.2 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 168.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.63 -2.48 41.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.295 -0.878 . . . . 0.0 112.703 156.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.64 -18.69 46.81 Favored Glycine 0 CA--C 1.571 3.568 0 O-C-N 121.196 -0.94 . . . . 0.0 115.352 -172.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -113.28 157.37 21.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.259 . . . . 0.0 111.815 -166.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 mt -103.72 132.49 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.122 -0.986 . . . . 0.0 110.259 169.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -108.82 169.36 8.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.121 -0.987 . . . . 0.0 112.711 -173.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -28.73 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.397 -0.814 . . . . 0.0 110.151 177.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -36.63 64.01 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 59.1 mt-10 -71.12 -29.34 65.13 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.475 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 31' ' ' LEU . 2.9 tm? -69.54 -63.15 1.13 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 111.832 -166.381 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -25.89 -84.45 0.01 OUTLIER Glycine 0 CA--C 1.572 3.619 0 O-C-N 121.201 -0.937 . . . . 0.0 115.223 160.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.558 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 5.5 pt-20 -60.28 -20.71 60.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -1.197 . . . . 0.0 113.912 -167.555 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -58.72 -62.02 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.203 -0.936 . . . . 0.0 110.209 163.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -54.82 -66.41 0.41 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.08 . . . . 0.0 111.179 170.241 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -50.98 64.5 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.227 -0.92 . . . . 0.0 110.881 -166.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.939 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -158.555 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.04 -39.78 78.97 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.7 -33.35 68.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.197 -0.94 . . . . 0.0 112.678 178.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.11 -49.34 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.127 -0.983 . . . . 0.0 110.165 164.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -36.45 81.7 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.06 -41.28 97.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.331 -0.855 . . . . 0.0 112.668 171.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.01 -55.45 32.69 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 170.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.632 ' HE3' HD13 ' B' ' 58' ' ' ILE . 8.7 tpt -82.32 -6.82 59.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.602 -1.311 . . . . 0.0 112.112 -167.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -87.53 -43.29 12.13 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.896 . . . . 0.0 109.815 165.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.5 -26.8 66.53 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.566 -0.709 . . . . 0.0 112.427 -177.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -86.06 -40.49 15.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.273 -0.892 . . . . 0.0 112.825 173.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -77.33 67.95 3.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.329 -0.857 . . . . 0.0 112.672 -169.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -69.44 -34.94 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.22 -0.925 . . . . 0.0 109.974 -165.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -65.1 -21.98 66.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.309 -0.869 . . . . 0.0 113.264 -176.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 54.58 81.32 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.219 -0.926 . . . . 0.0 113.255 -176.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.71 -20.28 2.03 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.565 1.146 . . . . 0.0 112.74 165.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.11 59.08 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.011 -1.056 . . . . 0.0 115.09 169.016 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -162.31 151.25 15.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.199 -1.177 . . . . 0.0 113.959 171.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.966 HG22 ' HB2' ' B' ' 62' ' ' GLU . 70.8 mt -110.36 135.44 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.208 -0.932 . . . . 0.0 110.317 -162.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -120.5 173.07 7.39 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.296 1.038 . . . . 0.0 112.818 169.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.499 ' HE2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.32 -34.32 66.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.825 -1.172 . . . . 0.0 112.067 -156.15 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -78.13 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.656 0 O-C-N 120.372 -1.455 . . . . 0.0 113.411 161.193 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.966 ' HB2' HG22 ' B' ' 58' ' ' ILE . 5.0 mt-10 -40.98 -31.01 0.15 Allowed 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 172.291 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 3.9 t80 -58.54 -53.32 59.71 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 119.89 -1.757 . . . . 0.0 112.045 170.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.4 mt -54.98 -26.04 33.95 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.19 0.996 . . . . 0.0 111.724 -177.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -43.37 10.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.244 -0.91 . . . . 0.0 109.464 174.754 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.01 -57.04 3.57 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 171.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.401 ' HG2' ' N ' ' B' ' 68' ' ' GLU . 6.0 ttm -64.15 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.082 0.953 . . . . 0.0 110.599 166.452 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' B' ' 67' ' ' MET . 5.9 mt-10 . . . . . 0 CA--C 1.574 1.873 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -163.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.0 pt-20 . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 121.263 0.554 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.686 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -64.71 -23.7 67.33 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -69.31 -62.56 1.33 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 171.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 1.047 HD21 HD22 ' B' ' 64' ' ' LEU . 5.8 mp -55.52 -21.37 16.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.086 -1.009 . . . . 0.0 111.707 167.359 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -59.05 -68.49 0.27 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.126 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -50.62 -44.04 57.1 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.246 -0.909 . . . . 0.0 113.307 169.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -60.89 -43.07 98.99 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 84.9 t80 -69.01 -27.65 65.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.348 -0.845 . . . . 0.0 111.93 177.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -68.34 -36.67 79.6 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.914 0.886 . . . . 0.0 113.058 163.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.86 -38.8 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 124.3 1.04 . . . . 0.0 110.288 -176.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.696 ' CE2' HG23 ' A' ' 30' ' ' ILE . 11.1 m-85 -58.48 -52.09 67.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.307 -0.871 . . . . 0.0 110.378 175.186 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.72 146.38 33.95 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.222 -0.924 . . . . 0.0 112.822 -170.654 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.637 ' HG2' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.6 -37.32 87.17 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.11 -0.994 . . . . 0.0 109.178 -170.509 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.1 m-80 -140.47 -33.04 0.57 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -158.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 82.73 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 156.195 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.4 -23.08 64.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.258 -0.901 . . . . 0.0 112.681 156.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.538 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 130.37 20.39 1.27 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.258 -0.901 . . . . 0.0 115.301 155.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.568 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -124.05 168.8 12.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.301 -1.117 . . . . 0.0 111.591 177.072 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 mt -110.81 162.64 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.043 -1.036 . . . . 0.0 110.243 165.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.53 158.36 27.47 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.13 -0.981 . . . . 0.0 112.623 164.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.848 ' CD1' HD12 ' A' ' 27' ' ' LEU . 1.8 tp -59.61 -31.38 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.418 -0.802 . . . . 0.0 110.186 174.141 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.11 -28.32 68.72 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 177.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.637 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 89.0 mt-10 -75.78 -24.61 56.01 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 166.025 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.848 HD12 ' CD1' ' A' ' 24' ' ' ILE . 8.9 tt -69.42 -52.75 23.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.225 -0.922 . . . . 0.0 111.833 -159.214 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.39 -30.83 78.75 Favored Glycine 0 CA--C 1.571 3.559 0 O-C-N 121.171 -0.955 . . . . 0.0 115.163 176.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.653 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 1.2 tt0 -75.38 -35.63 61.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.161 . . . . 0.0 113.86 176.846 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.696 HG23 ' CE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -55.96 -65.89 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.208 163.84 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.38 -24.32 67.2 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.128 -0.982 . . . . 0.0 111.709 -164.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 -16.31 12.91 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.115 -0.991 . . . . 0.0 110.873 -168.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.2 -41.53 98.45 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 173.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.13 -35.62 80.12 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.233 -0.917 . . . . 0.0 112.64 175.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.25 -35.32 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.217 -0.927 . . . . 0.0 110.227 169.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.81 -34.16 71.45 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.58 -42.33 91.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.282 -0.886 . . . . 0.0 112.662 166.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.2 tp -51.55 -46.77 63.49 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 168.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.504 ' HE3' HG13 ' B' ' 58' ' ' ILE . 1.9 tpt -70.25 -42.9 71.59 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.095 -176.255 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -85.82 -18.39 33.02 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 -172.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.02 -58.36 5.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.499 -1.376 . . . . 0.0 112.466 157.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.0 m -55.66 -32.6 63.35 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.143 -0.973 . . . . 0.0 112.709 -174.162 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -76.97 104.6 7.55 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.253 -0.904 . . . . 0.0 112.675 -168.234 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -55.2 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.225 -0.922 . . . . 0.0 109.917 -177.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -65.7 -2.57 3.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.267 -0.896 . . . . 0.0 113.41 -167.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 58.79 84.3 0.11 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.103 -0.998 . . . . 0.0 113.251 170.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.5 -17.39 1.0 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.242 -0.911 . . . . 0.0 112.746 172.435 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.74 8.82 56.9 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 120.858 -1.151 . . . . 0.0 115.115 165.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -147.43 151.74 36.96 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.224 -1.162 . . . . 0.0 113.838 167.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.821 HG22 ' HB2' ' B' ' 62' ' ' GLU . 65.4 mt -105.86 151.97 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.133 -0.979 . . . . 0.0 110.202 -156.735 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -118.23 -167.46 1.36 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.088 -1.008 . . . . 0.0 112.717 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.33 -39.0 93.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.034 -1.041 . . . . 0.0 112.091 -176.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.55 -84.72 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.827 2.251 . . . . 0.0 111.324 171.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.821 ' HB2' HG22 ' B' ' 58' ' ' ILE . 30.9 mt-10 -27.21 -35.28 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.905 -1.498 . . . . 0.0 113.868 167.846 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.584 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -61.17 -55.95 26.36 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.977 -1.077 . . . . 0.0 111.846 174.455 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 1.047 HD22 HD21 ' A' ' 7' ' ' LEU . 19.6 mt -51.01 -42.17 60.25 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.689 1.196 . . . . 0.0 111.888 175.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -98.92 -9.56 23.97 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.995 -1.066 . . . . 0.0 109.646 -164.118 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -90.42 -40.17 12.2 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 166.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -53.88 14.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.198 -0.938 . . . . 0.0 110.615 162.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 162.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 121.203 0.525 . . . . 0.0 111.859 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.08 -23.48 62.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -177.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -102.68 -28.36 12.17 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.579 HD21 HD22 ' B' ' 64' ' ' LEU . 5.7 mp -74.47 -25.91 59.69 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.046 0.938 . . . . 0.0 111.753 161.352 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' HA ' ' HE1' ' B' ' 60' ' ' PHE . . . -68.2 -54.9 14.55 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.229 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.84 -31.7 69.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.253 -0.904 . . . . 0.0 113.182 170.221 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -64.85 -37.09 86.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 166.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.627 ' HD1' ' CG ' ' B' ' 63' ' ' PHE . 64.4 t80 -78.38 -30.11 47.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.37 -0.831 . . . . 0.0 112.214 -178.365 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -56.97 12.11 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.306 1.042 . . . . 0.0 112.922 163.603 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.43 -28.39 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.2 -0.938 . . . . 0.0 110.269 -170.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -72.83 -38.16 67.22 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.917 0.887 . . . . 0.0 110.414 174.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.6 122.59 20.79 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.263 -0.898 . . . . 0.0 112.798 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' CD ' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -91.07 13.57 16.47 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.016 -1.052 . . . . 0.0 109.879 -162.754 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB3' ' CD ' ' A' ' 16' ' ' LYS . 1.9 p30 -170.46 -25.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.383 -1.448 . . . . 0.0 114.651 -154.445 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.57 55.31 2.8 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 161.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.69 -20.1 21.94 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.226 -0.922 . . . . 0.0 112.746 154.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.05 2.51 7.15 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.111 -0.993 . . . . 0.0 115.151 171.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -120.08 170.43 9.3 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.215 -1.168 . . . . 0.0 111.662 -175.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.817 HG22 ' CG ' ' A' ' 26' ' ' GLU . 62.9 mt -127.49 121.14 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 C-N-CA 124.195 0.998 . . . . 0.0 110.199 175.548 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -98.99 161.75 13.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.964 -1.085 . . . . 0.0 112.849 -174.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -9.06 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.291 -0.881 . . . . 0.0 110.527 175.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -80.79 -40.15 25.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.469 -1.394 . . . . 0.0 113.746 170.714 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.817 ' CG ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.82 -50.82 65.21 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.311 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.757 HD13 HG12 ' B' ' 43' ' ' ILE . 2.1 tm? -44.21 -73.22 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.337 1.455 . . . . 0.0 111.966 -171.024 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -48.72 -42.51 28.45 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.174 -0.954 . . . . 0.0 115.1 -177.323 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.74 -36.46 78.42 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.224 -1.162 . . . . 0.0 113.903 178.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.618 HG21 HD22 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -58.46 -61.61 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.115 -0.99 . . . . 0.0 110.209 162.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 30' ' ' ILE . 3.6 mt -79.62 25.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 121.01 -1.056 . . . . 0.0 111.45 -178.173 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 tpt85 -155.76 -64.26 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.333 -0.855 . . . . 0.0 110.831 163.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -159.946 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.81 -33.11 72.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -178.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.55 -47.21 86.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.226 -0.921 . . . . 0.0 112.705 168.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.757 HG12 HD13 ' A' ' 27' ' ' LEU . 8.7 mt -63.73 -51.72 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.234 -0.916 . . . . 0.0 110.272 -174.457 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -33.98 77.19 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.45 -46.67 89.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.264 -0.898 . . . . 0.0 112.622 165.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.81 -44.74 61.11 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -175.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.761 ' HE2' ' CD1' ' B' ' 58' ' ' ILE . 6.6 ttt -87.8 11.11 16.32 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.054 -1.029 . . . . 0.0 112.083 176.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.7 -34.96 11.17 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 123.902 0.881 . . . . 0.0 109.869 156.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -67.49 -58.99 3.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 112.468 175.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 -16.18 58.59 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.187 -0.946 . . . . 0.0 112.907 -176.423 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -65.09 134.59 54.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.176 -0.952 . . . . 0.0 112.68 165.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -99.09 0.25 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.263 -0.898 . . . . 0.0 110.015 -176.738 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.17 12.42 2.87 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -170.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.17 48.37 10.55 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.98 0.912 . . . . 0.0 113.293 -164.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -106.13 54.67 0.68 Allowed 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 124.798 1.239 . . . . 0.0 112.435 153.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.74 27.1 0.92 Allowed Glycine 0 CA--C 1.57 3.497 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -159.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.04 122.97 32.26 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.904 -1.351 . . . . 0.0 113.808 161.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.925 HG22 ' HB2' ' B' ' 62' ' ' GLU . 40.3 mt -101.95 149.13 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.032 -1.042 . . . . 0.0 110.122 -156.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -119.27 -174.72 2.78 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.07 -1.019 . . . . 0.0 112.829 171.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.463 ' HE1' ' HA ' ' A' ' 8' ' ' ALA . 42.0 t80 -62.3 -32.15 72.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.947 -1.095 . . . . 0.0 112.014 -166.102 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.72 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.151 0 CA-C-O 124.652 2.168 . . . . 0.0 111.516 172.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.925 ' HB2' HG22 ' B' ' 58' ' ' ILE . 35.3 mt-10 -24.44 -41.71 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.734 0 CA-C-N 113.825 -1.534 . . . . 0.0 113.614 166.418 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.627 ' CG ' ' HD1' ' A' ' 11' ' ' PHE . 58.2 t80 -60.41 -48.86 79.92 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.437 -0.79 . . . . 0.0 111.719 179.133 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.579 HD22 HD21 ' A' ' 7' ' ' LEU . 27.6 mt -60.35 -29.87 69.18 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 124.823 1.249 . . . . 0.0 111.86 173.527 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -45.37 9.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -163.614 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.836 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.72 2.81 31.93 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 167.57 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -73.49 0.24 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.029 -1.045 . . . . 0.0 110.514 156.221 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -167.347 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 5' ' ' GLU 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 121.716 0.769 . . . . 0.0 111.825 . . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.593 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 8.3 tt0 -49.57 -26.88 3.88 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -164.128 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.88 -54.59 5.67 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -178.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 1.023 HD11 HD22 ' B' ' 64' ' ' LEU . 1.2 mt -58.23 -15.51 10.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.208 -0.933 . . . . 0.0 111.768 164.747 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -70.86 -65.32 0.75 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 166.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -40.66 -51.92 2.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.247 -0.908 . . . . 0.0 113.232 163.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.43 84.09 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 -176.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.484 ' HD1' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -68.8 -42.56 77.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.214 -0.929 . . . . 0.0 112.066 179.086 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -53.03 -41.07 64.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.132 -0.98 . . . . 0.0 112.924 167.013 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.62 -33.33 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.504 1.122 . . . . 0.0 110.204 -171.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -56.58 -41.33 76.76 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.373 -0.829 . . . . 0.0 110.43 170.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.86 168.57 19.18 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.179 -0.95 . . . . 0.0 112.794 -159.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.717 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -101.08 -79.1 0.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 161.598 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.717 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 19.9 t30 -86.8 -36.38 18.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -162.627 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.75 58.58 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 155.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.4 17.14 4.67 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.26 -0.9 . . . . 0.0 112.68 160.205 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.15 -1.67 54.64 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.097 -1.002 . . . . 0.0 115.439 173.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.24 163.97 14.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.235 -1.156 . . . . 0.0 111.801 -168.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.8 mt -122.47 138.88 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.273 1.029 . . . . 0.0 110.215 164.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -118.12 168.28 10.71 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.967 -1.083 . . . . 0.0 112.753 -166.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.654 HD11 ' SD ' ' B' ' 47' ' ' MET . 2.3 tp -60.57 -37.16 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.112 -0.993 . . . . 0.0 110.217 -173.365 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.18 -21.27 56.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.56 -23.06 53.56 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 164.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.657 ' HG ' HD12 ' A' ' 31' ' ' LEU . 1.3 tt -74.58 -72.91 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.202 -0.937 . . . . 0.0 111.843 -161.276 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.71 60.14 Favored Glycine 0 CA--C 1.572 3.594 0 O-C-N 121.171 -0.955 . . . . 0.0 115.122 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -52.3 -59.74 4.04 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -1.171 . . . . 0.0 113.895 162.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -48.14 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.103 -0.998 . . . . 0.0 110.168 171.372 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.657 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -73.16 13.14 0.45 Allowed 'General case' 0 CA--C 1.574 1.87 0 O-C-N 121.199 -0.938 . . . . 0.0 111.467 -167.266 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -108.84 -43.52 4.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.308 -0.87 . . . . 0.0 110.851 162.062 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -172.15 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -20.45 66.05 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 164.164 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -80.06 -37.74 33.29 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.231 -0.918 . . . . 0.0 112.663 169.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.54 -38.22 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.146 -0.971 . . . . 0.0 110.12 163.385 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -35.09 78.27 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 172.01 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.07 -42.29 99.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 171.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -53.83 51.49 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 173.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.654 ' SD ' HD11 ' A' ' 24' ' ' ILE . 2.8 tpt -76.7 -28.81 56.01 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.755 -1.215 . . . . 0.0 111.993 -166.048 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -20.58 17.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.264 -0.897 . . . . 0.0 110.292 -176.205 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.05 -50.38 62.1 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.602 -1.311 . . . . 0.0 112.445 157.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -75.32 -32.32 60.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.187 -0.946 . . . . 0.0 112.873 -170.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.65 98.71 4.12 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.206 -0.933 . . . . 0.0 112.681 -173.032 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.92 -75.38 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.067 -174.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.53 -12.86 59.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.14 -0.975 . . . . 0.0 113.333 -164.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.1 m120 62.59 66.61 0.76 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.097 -1.002 . . . . 0.0 113.272 163.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -51.81 2.84 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.036 1.334 . . . . 0.0 112.625 159.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 176.9 -26.92 0.06 OUTLIER Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.246 -0.909 . . . . 0.0 115.042 174.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -115.77 171.05 8.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.263 -1.14 . . . . 0.0 113.907 -157.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 1.034 HG22 ' HB2' ' B' ' 62' ' ' GLU . 39.0 mt -103.34 151.9 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 124.338 1.055 . . . . 0.0 110.206 166.72 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -125.2 -153.48 0.57 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.314 1.045 . . . . 0.0 112.731 160.04 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.476 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -79.67 -40.51 28.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.857 -1.152 . . . . 0.0 112.156 -162.68 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.04 -75.27 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 113.853 164.178 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 1.034 ' HB2' HG22 ' B' ' 58' ' ' ILE . 3.2 mt-10 -33.18 -49.99 0.28 Allowed 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 165.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.416 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 9.4 t80 -53.25 -35.72 60.31 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.22 -0.925 . . . . 0.0 111.863 -177.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 1.023 HD22 HD11 ' A' ' 7' ' ' LEU . 23.2 mt -71.12 -33.09 69.8 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.022 0.929 . . . . 0.0 111.781 -179.407 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 -38.15 21.08 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.256 -0.903 . . . . 0.0 109.358 179.304 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.9 ttp -55.95 -59.6 4.66 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -46.58 -65.36 0.57 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.248 -0.908 . . . . 0.0 110.521 168.275 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -159.715 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.257 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 121.185 0.517 . . . . 0.0 111.893 . . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.782 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -61.66 -54.64 40.12 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -159.307 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -63.08 -57.33 10.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -22.93 27.36 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.268 -0.895 . . . . 0.0 111.731 169.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -62.42 -66.56 0.52 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 169.504 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -35.03 -58.91 0.52 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 123.942 0.897 . . . . 0.0 113.254 160.221 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.34 80.28 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -174.473 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.684 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 66.8 t80 -76.99 -32.23 57.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -0.893 . . . . 0.0 112.247 -178.644 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.51 -56.32 21.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.152 -0.968 . . . . 0.0 112.902 160.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mm -65.15 -33.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.053 0.941 . . . . 0.0 110.266 -166.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -54.96 -67.58 0.26 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.23 -0.919 . . . . 0.0 110.39 165.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -55.5 128.72 35.8 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.141 0.976 . . . . 0.0 112.854 -164.371 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -68.63 0.35 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 175.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -85.1 -30.6 23.91 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -161.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.22 48.2 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 159.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -76.69 -11.68 59.88 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.266 -0.896 . . . . 0.0 112.696 159.218 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.02 55.63 Favored Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.052 -1.03 . . . . 0.0 115.227 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -117.04 159.08 23.08 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.236 -1.155 . . . . 0.0 111.693 176.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.5 mt -117.63 151.28 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.195 0.998 . . . . 0.0 110.213 172.094 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -127.45 173.2 10.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.06 -1.025 . . . . 0.0 112.74 -162.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -39.48 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.58 -25.37 59.23 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -177.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -77.08 -29.56 55.03 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 169.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.98 -67.3 0.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.194 -0.941 . . . . 0.0 111.879 -172.514 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.6 -38.0 5.26 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.159 178.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -80.15 -35.35 36.73 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.24 -1.153 . . . . 0.0 113.86 -177.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -56.14 -57.94 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.28 -0.888 . . . . 0.0 110.228 166.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 HG13 ' B' ' 43' ' ' ILE . 4.6 pp -64.29 -16.19 61.67 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.052 -1.03 . . . . 0.0 111.732 178.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -97.39 -20.77 17.59 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.166 -0.959 . . . . 0.0 111.007 174.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.682 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -64.46 -29.53 70.57 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 174.136 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.86 -38.58 88.8 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.212 -0.93 . . . . 0.0 112.636 168.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.617 HG13 HD23 ' A' ' 31' ' ' LEU . 1.6 mp -66.2 -42.64 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.218 -0.926 . . . . 0.0 110.281 172.606 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.49 77.87 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.343 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -74.17 -34.29 63.76 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.04 0.936 . . . . 0.0 112.698 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.42 -45.63 84.42 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 160.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.518 ' HE1' ' O ' ' B' ' 56' ' ' GLY . 3.5 ttt -80.37 7.84 8.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.155 -0.966 . . . . 0.0 112.139 -175.301 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -34.45 5.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.318 -0.864 . . . . 0.0 109.961 161.597 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -67.37 -34.19 76.77 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 0.0 112.454 173.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -86.97 -40.22 14.98 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.247 -0.908 . . . . 0.0 112.897 170.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -74.45 119.11 18.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.247 -0.908 . . . . 0.0 112.641 179.004 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -62.51 1.36 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.082 -1.012 . . . . 0.0 110.061 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 -30.06 70.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.324 -0.86 . . . . 0.0 113.258 -179.099 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 56.22 43.76 26.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.17 -0.956 . . . . 0.0 113.242 167.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -32.56 36.03 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.166 -0.959 . . . . 0.0 112.722 158.901 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.518 ' O ' ' HE1' ' B' ' 47' ' ' MET . . . 159.09 -11.54 0.19 Allowed Glycine 0 CA--C 1.571 3.586 0 O-C-N 121.107 -0.996 . . . . 0.0 115.234 161.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -151.32 162.73 40.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.244 -1.151 . . . . 0.0 113.853 -156.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.957 HG22 ' HB2' ' B' ' 62' ' ' GLU . 77.5 mt -109.58 150.21 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.209 -0.932 . . . . 0.0 110.225 -159.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -122.3 -165.88 1.34 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.063 -1.023 . . . . 0.0 112.739 166.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 112.048 -164.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.719 -1.238 . . . . 0.0 113.613 163.769 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.957 ' HB2' HG22 ' B' ' 58' ' ' ILE . 1.0 OUTLIER -34.42 -35.69 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.065 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.684 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 8.3 t80 -59.4 -49.18 78.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.559 -1.338 . . . . 0.0 111.927 174.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.28 -28.5 69.37 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.283 -0.886 . . . . 0.0 111.744 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -53.5 16.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.035 -1.041 . . . . 0.0 109.332 167.77 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' B' ' 66' ' ' MET . 6.1 tmm? -61.1 -34.12 74.44 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -172.719 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -73.3 0.12 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.301 -0.874 . . . . 0.0 110.57 161.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -161.953 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.96 ' HG3' ' CD2' ' B' ' 64' ' ' LEU 0.26 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 121.723 0.773 . . . . 0.0 111.746 . . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.416 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -73.64 -59.54 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -171.376 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.04 -18.01 59.22 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -28.25 30.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.209 -0.932 . . . . 0.0 111.703 168.221 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -65.02 -66.96 0.48 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 169.039 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -33.06 -55.03 0.39 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.919 0.887 . . . . 0.0 113.232 161.347 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -31.49 65.91 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -173.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -76.24 -30.26 57.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.272 -0.892 . . . . 0.0 112.141 177.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -26.25 57.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.252 -0.905 . . . . 0.0 112.969 167.124 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -74.08 -34.5 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.213 176.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -71.22 -33.63 70.06 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 123.997 0.919 . . . . 0.0 110.412 177.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.17 106.46 11.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.95 . . . . 0.0 112.867 -161.69 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.25 -51.2 7.67 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.134 -0.978 . . . . 0.0 109.413 -162.029 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.27 -30.01 11.75 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 84.12 43.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 154.128 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.64 -17.29 62.76 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.94 -1.1 . . . . 0.0 112.364 153.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.62 -41.63 1.5 Allowed Glycine 0 CA--C 1.573 3.686 0 O-C-N 121.454 -0.779 . . . . 0.0 115.001 178.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -128.56 163.4 25.09 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.461 -1.023 . . . . 0.0 111.74 -162.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -99.5 154.26 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 124.135 0.974 . . . . 0.0 110.281 -162.247 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.64 173.66 10.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.139 -0.976 . . . . 0.0 112.736 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -28.43 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.904 . . . . 0.0 110.272 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.28 -37.31 85.15 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.104 -0.998 . . . . 0.0 113.692 170.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -74.88 -40.43 60.95 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.922 HD11 HG22 ' B' ' 43' ' ' ILE . 2.9 tm? -45.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.008 0.923 . . . . 0.0 111.961 -174.413 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -43.54 -53.38 6.04 Favored Glycine 0 CA--C 1.57 3.528 0 O-C-N 121.091 -1.006 . . . . 0.0 115.148 -174.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -62.94 -35.77 81.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.239 -1.154 . . . . 0.0 113.861 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.16 -55.26 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.192 171.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HB2' ' HD3' ' A' ' 32' ' ' ARG . 2.7 mt -54.49 -49.34 70.37 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.028 -1.045 . . . . 0.0 111.34 173.297 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HD3' ' HB2' ' A' ' 31' ' ' LEU . 2.9 mtp85 -117.96 34.7 5.04 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.465 -0.772 . . . . 0.0 110.829 -157.133 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 165.977 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 N--CA 1.496 1.838 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.72 -21.02 63.51 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -59.9 -56.2 24.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.306 -0.871 . . . . 0.0 112.689 161.319 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.922 HG22 HD11 ' A' ' 27' ' ' LEU . 1.2 mp -59.56 -42.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.243 177.18 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -34.95 75.02 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.32 -46.99 81.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -0.859 . . . . 0.0 112.643 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.36 -46.57 69.74 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -176.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -33.63 64.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 112.013 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' B' ' 51' ' ' ASP . 4.6 tptp -84.29 -12.97 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.299 -0.876 . . . . 0.0 110.553 177.031 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.99 -58.32 5.16 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.242 -1.536 . . . . 0.0 112.442 158.057 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.29 1.86 7.03 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.096 -1.003 . . . . 0.0 113.251 177.556 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' B' ' 48' ' ' LYS . 21.2 t70 -70.63 122.25 19.42 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.005 -1.06 . . . . 0.0 112.633 178.775 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.4 ' HB2' ' ND2' ' B' ' 54' ' ' ASN . 7.4 mmmm -65.03 -140.48 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.072 -1.018 . . . . 0.0 110.087 158.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -73.36 -57.26 4.14 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.223 168.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' B' ' 52' ' ' LYS . 1.7 m120 58.91 99.65 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 0.0 113.377 164.219 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -37.93 -46.6 0.99 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.191 -0.943 . . . . 0.0 112.669 162.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.82 -39.36 0.04 OUTLIER Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.23 -0.919 . . . . 0.0 115.129 -177.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.69 169.31 13.94 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.174 -1.192 . . . . 0.0 113.873 -155.536 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.989 HG22 ' HB2' ' B' ' 62' ' ' GLU . 78.5 mt -111.92 137.65 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.07 -1.019 . . . . 0.0 110.297 -177.141 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -124.23 173.5 8.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.653 -1.279 . . . . 0.0 112.756 166.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.92 -40.72 57.79 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.441 1.096 . . . . 0.0 112.257 -153.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.29 -77.93 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.692 -1.255 . . . . 0.0 113.737 167.274 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.989 ' HB2' HG22 ' B' ' 58' ' ' ILE . 0.1 OUTLIER -31.02 -42.79 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 169.165 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -57.92 -47.81 81.74 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.951 -1.093 . . . . 0.0 112.198 178.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.96 ' CD2' ' HG3' ' A' ' 4' ' ' GLU . 29.2 mt -62.28 -22.12 65.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.236 -0.915 . . . . 0.0 111.761 179.593 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -87.1 -51.53 5.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.159 -0.963 . . . . 0.0 109.352 173.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.7 ttm -50.19 -15.24 0.21 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 176.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mmt -88.59 -69.18 0.72 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 156.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -155.581 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.6 mm-40 . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 121.237 0.541 . . . . 0.0 111.843 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.63 -75.46 0.2 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -155.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -64.14 -21.84 66.7 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 178.313 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.723 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 62.0 mt -89.94 -14.92 33.11 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.355 1.062 . . . . 0.0 111.778 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.93 -52.85 8.19 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 161.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -45.85 -44.48 14.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.229 -0.919 . . . . 0.0 113.263 158.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.723 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -66.19 -42.58 88.66 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 176.713 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HE2' ' HA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -74.08 -36.96 64.33 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.881 0.872 . . . . 0.0 112.033 -176.353 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -35.72 81.9 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.164 0.986 . . . . 0.0 112.944 169.612 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -76.53 -33.94 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.383 1.073 . . . . 0.0 110.25 -174.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.26 -29.13 65.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.314 -0.866 . . . . 0.0 110.417 169.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.46 156.85 37.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.208 -0.933 . . . . 0.0 112.724 -172.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.74 -46.71 0.49 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.045 -1.034 . . . . 0.0 109.266 178.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -85.2 -30.31 23.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -171.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.06 65.24 0.05 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 158.227 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.11 13.93 14.83 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.724 1.21 . . . . 0.0 112.655 156.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.97 32.29 82.14 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.259 -0.901 . . . . 0.0 115.112 -165.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -123.76 159.64 29.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.194 -1.18 . . . . 0.0 111.691 174.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -106.04 150.8 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.948 -1.095 . . . . 0.0 110.273 165.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -123.1 158.27 31.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.205 -0.935 . . . . 0.0 112.679 177.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.79 -28.49 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.33 -0.856 . . . . 0.0 110.196 -178.279 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.31 -29.22 57.25 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -178.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.659 ' O ' HD11 ' A' ' 30' ' ' ILE . 96.8 mt-10 -77.54 -32.05 53.72 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 167.201 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 1.06 HD11 HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -44.33 -72.71 0.05 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.296 -0.878 . . . . 0.0 111.915 -177.346 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -39.75 -65.35 0.9 Allowed Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.178 -0.951 . . . . 0.0 115.105 163.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.538 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 96.1 mt-10 -61.28 -32.17 72.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.212 -1.17 . . . . 0.0 113.859 -166.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.659 HD11 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -59.94 -59.71 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.141 -0.974 . . . . 0.0 110.239 160.87 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 1.06 HD22 HD11 ' A' ' 27' ' ' LEU . 3.3 pp -80.88 19.51 0.85 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.012 -1.055 . . . . 0.0 111.757 -172.112 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -129.7 -24.65 2.69 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.065 -1.022 . . . . 0.0 110.867 168.173 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -173.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -21.45 64.13 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.34 -29.89 15.4 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.21 -0.931 . . . . 0.0 112.682 177.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.457 HG12 HD23 ' A' ' 31' ' ' LEU . 2.1 mp -57.3 -30.86 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.064 -1.022 . . . . 0.0 110.223 159.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.65 -32.81 58.22 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 173.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -63.29 -34.77 78.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.282 -0.886 . . . . 0.0 112.616 163.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -76.31 -43.23 42.24 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.254 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.704 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 1.6 tpt -94.49 18.27 11.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.157 -0.964 . . . . 0.0 112.147 175.749 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -31.15 6.98 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.224 -0.923 . . . . 0.0 110.08 161.869 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.41 -65.09 0.73 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.949 -1.094 . . . . 0.0 112.457 161.143 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 50' ' ' SER . . . . . 0.631 ' O ' ' HE2' ' B' ' 52' ' ' LYS . 4.7 m -77.01 -21.42 54.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.129 -0.982 . . . . 0.0 112.884 -164.601 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.52 173.17 0.19 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.144 -0.973 . . . . 0.0 112.731 165.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.631 ' HE2' ' O ' ' B' ' 50' ' ' SER . 0.0 OUTLIER -139.96 -109.71 0.15 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.932 -1.105 . . . . 0.0 110.081 170.441 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.12 22.4 0.65 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.692 -1.255 . . . . 0.0 113.828 -169.6 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 73.65 31.05 1.33 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.184 1.394 . . . . 0.0 113.101 170.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -92.13 55.33 2.57 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.346 1.059 . . . . 0.0 112.282 153.365 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . 0.479 ' O ' ' HE2' ' B' ' 47' ' ' MET . . . -66.62 10.94 0.64 Allowed Glycine 0 CA--C 1.571 3.584 0 N-CA-C 115.842 1.097 . . . . 0.0 115.842 -158.659 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -91.49 139.18 30.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.021 -1.282 . . . . 0.0 113.878 174.421 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.975 HG22 ' HB2' ' B' ' 62' ' ' GLU . 26.7 mt -111.26 159.44 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 124.005 0.922 . . . . 0.0 110.63 -154.115 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.02 -174.17 3.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.095 -1.003 . . . . 0.0 112.815 174.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.625 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 1.9 t80 -65.46 -34.33 78.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 112.037 -169.026 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.98 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 124.621 2.153 . . . . 0.0 111.282 168.869 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.975 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.7 mt-10 -28.53 -36.08 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 113.885 -1.507 . . . . 0.0 113.781 167.396 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.432 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 2.9 t80 -62.28 -52.61 63.03 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.065 -1.022 . . . . 0.0 112.092 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.481 HD22 HD12 ' A' ' 7' ' ' LEU . 11.3 mt -52.11 -47.21 65.41 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 125.189 1.396 . . . . 0.0 111.879 174.261 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -24.19 38.07 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.114 -0.991 . . . . 0.0 109.344 -174.393 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.41 ' HE3' ' HA ' ' B' ' 63' ' ' PHE . 31.6 ttp -67.96 -54.59 17.42 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 175.668 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.689 ' HE2' HD23 ' A' ' 7' ' ' LEU . 37.0 ttp -64.85 -41.76 95.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.219 -0.925 . . . . 0.0 110.595 176.41 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 176.867 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 CA--C 1.574 1.874 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.677 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 1.1 tt0 -30.25 -71.31 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 172.913 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.19 -38.86 75.43 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -164.739 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.906 HD12 HD22 ' B' ' 64' ' ' LEU . 33.6 mt -74.05 -18.39 60.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.546 1.139 . . . . 0.0 111.799 168.653 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -67.97 -60.32 2.59 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 165.505 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -41.98 -54.64 3.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.19 -0.944 . . . . 0.0 113.21 158.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -61.59 -39.11 90.01 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.69 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 51.1 t80 -74.9 -30.8 61.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.213 -0.929 . . . . 0.0 112.092 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -65.01 -46.84 79.72 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.172 0.989 . . . . 0.0 112.897 164.6 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.05 -29.65 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 124.416 1.086 . . . . 0.0 110.215 -166.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 13.8 m-30 -70.36 -37.38 74.58 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 124.062 0.945 . . . . 0.0 110.5 168.536 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -64.03 147.64 51.62 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.174 -0.954 . . . . 0.0 112.789 -178.331 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.89 -40.75 3.46 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.111 -0.993 . . . . 0.0 109.279 -177.361 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -108.44 -34.17 6.85 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.56 48.32 0.12 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 158.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.54 17.75 7.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.151 -0.968 . . . . 0.0 112.785 154.459 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.57 -3.22 56.21 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 121.007 -1.058 . . . . 0.0 115.424 164.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -119.06 154.57 32.94 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.083 -1.245 . . . . 0.0 111.668 -175.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 mm -94.96 125.12 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 C-N-CA 124.448 1.099 . . . . 0.0 110.279 164.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -108.63 178.86 4.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.043 -1.036 . . . . 0.0 112.785 -170.327 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 2.3 tp -67.81 -39.69 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.166 -0.959 . . . . 0.0 110.252 178.191 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.92 -27.35 63.71 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.719 ' O ' HD13 ' A' ' 30' ' ' ILE . 65.3 mt-10 -71.37 -28.3 63.94 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.621 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.567 HD21 ' SD ' ' B' ' 47' ' ' MET . 31.0 tp -67.39 -63.06 1.14 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.184 -0.948 . . . . 0.0 111.88 -165.104 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.42 -38.22 41.65 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.208 -0.932 . . . . 0.0 115.143 178.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.52 -34.93 35.22 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.18 -1.188 . . . . 0.0 113.854 -172.55 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 26' ' ' GLU . 4.5 mt -51.33 -64.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.158 -0.964 . . . . 0.0 110.175 159.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.631 HD23 HG12 ' B' ' 43' ' ' ILE . 4.5 pp -70.77 -0.6 9.27 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.007 -1.058 . . . . 0.0 111.774 -168.104 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -118.03 -75.85 0.58 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 169.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -169.615 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.49 -44.72 74.12 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -52.82 -48.15 67.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.222 -0.924 . . . . 0.0 112.663 165.543 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.631 HG12 HD23 ' A' ' 31' ' ' LEU . 2.0 mp -58.43 -60.46 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.311 -0.868 . . . . 0.0 110.134 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -34.04 77.14 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.975 -1.078 . . . . 0.0 113.742 -168.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.37 -34.44 70.45 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.906 0.882 . . . . 0.0 112.686 172.293 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.42 -44.23 96.92 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.644 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.567 ' SD ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -64.9 -35.76 82.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.16 -0.962 . . . . 0.0 112.078 176.927 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -27.08 57.58 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 121.246 -0.909 . . . . 0.0 110.342 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.92 -43.2 83.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.22 -0.925 . . . . 0.0 112.401 174.517 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.3 p -94.76 -26.86 16.08 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.952 . . . . 0.0 112.89 -169.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.65 81.17 0.84 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.177 -0.952 . . . . 0.0 112.668 -175.152 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -51.35 -61.45 2.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.224 -0.923 . . . . 0.0 109.929 -172.3 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -59.51 -31.39 69.32 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.921 . . . . 0.0 113.21 -164.162 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 16.0 m120 55.4 44.21 27.51 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 113.275 -172.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.26 -50.87 6.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.208 -0.932 . . . . 0.0 112.704 161.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -48.78 0.32 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.185 -0.947 . . . . 0.0 115.26 163.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -115.78 168.77 9.75 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.343 -1.093 . . . . 0.0 113.818 -161.576 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.862 HG22 ' HB2' ' B' ' 62' ' ' GLU . 75.2 mt -107.58 148.33 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.042 -1.036 . . . . 0.0 110.205 -172.587 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -105.57 -164.2 1.01 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.019 . . . . 0.0 112.814 170.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -67.33 -36.01 80.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.045 -1.034 . . . . 0.0 111.972 173.317 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.86 -84.49 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.696 2.189 . . . . 0.0 111.609 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.862 ' HB2' HG22 ' B' ' 58' ' ' ILE . 54.6 mt-10 -29.3 -34.82 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.75 0 CA-C-N 113.96 -1.473 . . . . 0.0 113.96 166.543 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.69 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 57.0 t80 -62.3 -48.08 81.47 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.982 -1.074 . . . . 0.0 111.703 176.367 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.906 HD22 HD12 ' A' ' 7' ' ' LEU . 19.8 mt -58.57 -41.97 86.92 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.205 1.402 . . . . 0.0 111.815 174.864 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.436 ' HG2' ' HZ1' ' B' ' 65' ' ' LYS . 7.7 mttm -66.15 -33.49 75.88 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.09 -1.006 . . . . 0.0 109.415 173.659 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.639 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 9.5 ttm -77.42 -28.8 52.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -173.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.4 ttm -96.7 -17.36 20.38 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 110.558 -178.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 159.267 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.258 1.6 mm-40 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 121.009 0.433 . . . . 0.0 112.002 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.78 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -70.56 -48.7 54.07 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.338 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.05 -31.66 34.39 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.54 HD13 ' SD ' ' B' ' 67' ' ' MET . 0.1 OUTLIER -71.29 -14.57 62.26 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.27 -0.894 . . . . 0.0 111.711 162.015 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.78 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -70.75 -68.29 0.44 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 167.289 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -34.21 -54.87 0.51 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.275 -0.891 . . . . 0.0 113.268 159.711 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -66.4 -35.46 80.39 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.544 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.563 ' HE1' HG12 ' A' ' 22' ' ' ILE . 58.1 t80 -68.44 -37.78 80.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.188 -0.945 . . . . 0.0 112.275 174.6 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.77 -37.91 67.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.157 -0.964 . . . . 0.0 112.928 174.338 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -81.59 -33.22 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 C-N-CA 124.329 1.052 . . . . 0.0 110.151 -168.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CD2' HD11 ' A' ' 30' ' ' ILE . 6.6 m-30 -48.65 -62.85 1.29 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.278 -0.889 . . . . 0.0 110.429 162.608 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.29 141.15 55.94 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.137 -0.977 . . . . 0.0 112.758 -164.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -61.12 1.97 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 -170.048 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -96.95 -27.52 14.61 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -167.766 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.2 52.87 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.184 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -84.26 3.51 35.12 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.23 -0.919 . . . . 0.0 112.98 154.449 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.43 5.92 57.73 Favored Glycine 0 CA--C 1.571 3.569 0 O-C-N 120.533 -1.354 . . . . 0.0 115.239 163.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -110.38 160.86 16.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.148 -1.207 . . . . 0.0 111.694 174.712 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.725 HG22 ' CD ' ' A' ' 26' ' ' GLU . 7.5 mm -98.09 123.98 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.128 -0.983 . . . . 0.0 110.242 161.01 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -98.96 165.34 11.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.004 -1.06 . . . . 0.0 112.703 175.506 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -30.95 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.356 -0.84 . . . . 0.0 110.158 178.56 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -29.87 58.41 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -176.799 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.725 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.19 -47.3 80.32 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 121.203 -0.935 . . . . 0.0 113.513 171.182 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 27' ' ' LEU . 2.1 tm? -53.48 -61.13 2.5 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.986 1.314 . . . . 0.0 111.93 -167.223 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.64 -39.55 1.83 Allowed Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.136 -0.977 . . . . 0.0 115.156 173.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.38 -31.42 42.86 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.23 -1.159 . . . . 0.0 113.931 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.523 HG21 HD22 ' A' ' 31' ' ' LEU . 13.1 mt -54.41 -67.31 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.205 -0.934 . . . . 0.0 110.279 161.768 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.47 -7.8 1.02 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.117 -0.989 . . . . 0.0 111.449 -176.861 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -92.91 -54.42 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.337 -0.852 . . . . 0.0 110.854 167.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -161.631 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.2 -44.79 87.23 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 173.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -47.04 85.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.19 -0.943 . . . . 0.0 112.681 174.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.2 -39.81 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.187 -0.946 . . . . 0.0 110.299 178.237 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -35.74 57.32 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 179.359 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.08 -26.86 61.42 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.044 0.938 . . . . 0.0 112.67 174.402 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.7 -43.45 37.58 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.644 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 19.31 0.71 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.084 -1.01 . . . . 0.0 111.968 167.285 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -130.99 -14.45 3.47 Favored 'General case' 0 N--CA 1.498 1.951 0 C-N-CA 123.844 0.858 . . . . 0.0 110.674 162.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.84 -42.11 86.29 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.348 -1.47 . . . . 0.0 112.426 162.587 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -105.72 -24.2 12.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.089 -1.007 . . . . 0.0 112.945 -173.257 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.18 36.02 0.5 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.277 -0.889 . . . . 0.0 112.805 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -20.73 60.9 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 109.955 -174.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.66 -21.07 24.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.184 -0.947 . . . . 0.0 113.229 -177.269 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.2 m120 44.32 78.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.211 -0.931 . . . . 0.0 113.249 -167.638 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.75 -40.46 0.55 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.187 0.995 . . . . 0.0 112.641 154.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.75 -24.63 1.8 Allowed Glycine 0 CA--C 1.571 3.547 0 N-CA-C 115.477 0.951 . . . . 0.0 115.477 175.114 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -135.1 157.58 46.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.999 -1.295 . . . . 0.0 114.215 -154.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.914 HG22 ' HB2' ' B' ' 62' ' ' GLU . 58.8 mt -110.93 151.92 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 C-N-CA 123.985 0.914 . . . . 0.0 110.425 -166.747 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.4 p30 -123.22 165.9 16.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.794 -1.191 . . . . 0.0 112.734 171.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -33.36 16.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.975 -1.078 . . . . 0.0 112.077 -166.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.45 -83.59 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.152 0 CA-C-O 124.7 2.19 . . . . 0.0 111.352 168.936 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.914 ' HB2' HG22 ' B' ' 58' ' ' ILE . 7.8 mm-40 -22.91 -43.77 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.569 165.339 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.407 ' HE1' ' HD2' ' A' ' 14' ' ' PHE . 69.4 t80 -59.92 -46.2 90.14 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.741 0.781 . . . . 0.0 111.841 -179.573 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.11 -46.93 87.97 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.47 1.108 . . . . 0.0 111.907 172.598 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.499 ' HZ1' ' HG3' ' B' ' 65' ' ' LYS . 3.5 mmtp -60.21 -36.61 78.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 176.828 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 28.9 ttp -76.05 -49.86 16.36 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -172.108 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 67' ' ' MET . . . . . 0.54 ' SD ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.19 -10.91 59.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.301 -0.875 . . . . 0.0 110.612 176.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 158.718 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.9 tt0 . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 121.149 0.5 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.84 -54.33 35.94 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -162.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -24.41 19.94 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -167.45 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -38.49 69.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.142 -0.974 . . . . 0.0 111.742 164.196 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.42 -60.79 3.17 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.3 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -37.31 -52.26 1.08 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.218 -0.926 . . . . 0.0 113.256 162.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.82 71.65 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -173.331 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.692 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 2.0 t80 -69.72 -41.34 75.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.331 -0.856 . . . . 0.0 112.049 179.604 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -58.76 -38.78 79.22 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 124.219 1.008 . . . . 0.0 113.027 166.044 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.75 -36.51 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.028 -1.045 . . . . 0.0 110.218 -172.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -57.98 -48.33 80.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.836 . . . . 0.0 110.426 172.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -73.01 108.75 6.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.259 -0.901 . . . . 0.0 112.77 -170.501 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -23.96 66.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.133 -0.979 . . . . 0.0 109.173 -172.561 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.11 -36.61 10.92 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 179.036 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.23 46.31 25.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.68 -25.21 64.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.233 -0.917 . . . . 0.0 112.721 154.505 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.55 -19.44 3.79 Favored Glycine 0 CA--C 1.572 3.648 0 N-CA-C 115.525 0.97 . . . . 0.0 115.525 179.708 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.72 166.01 11.76 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.25 . . . . 0.0 111.671 -168.38 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.91 155.67 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 C-N-CA 124.332 1.053 . . . . 0.0 110.29 164.826 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -121.92 168.07 12.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.141 -0.974 . . . . 0.0 112.68 172.04 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -31.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.106 -0.996 . . . . 0.0 110.23 174.385 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.95 -32.15 71.54 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.14 -33.73 59.41 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.3 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD11 HG23 ' B' ' 43' ' ' ILE . 2.5 tm? -47.76 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.576 1.15 . . . . 0.0 111.913 -169.094 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -40.6 -43.65 3.03 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.122 -0.986 . . . . 0.0 115.036 174.157 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.622 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.65 -31.11 69.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -1.126 . . . . 0.0 113.902 -176.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.8 mm -53.67 -69.5 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 158.756 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.63 -16.62 6.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -0.924 . . . . 0.0 111.421 -166.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -126.15 -59.85 1.3 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.356 -0.84 . . . . 0.0 110.905 -179.151 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -154.765 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.47 -28.5 69.33 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.15 -47.55 82.99 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.7 173.408 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 27' ' ' LEU . 2.9 mp -78.49 -36.07 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.208 -0.932 . . . . 0.0 110.212 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -39.87 93.07 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 178.826 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 -41.44 81.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.343 -0.848 . . . . 0.0 112.659 169.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.33 -45.27 76.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.451 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.522 ' HE1' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -82.08 -47.05 13.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.176 -0.953 . . . . 0.0 112.057 -178.53 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.55 -24.86 67.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.259 -0.901 . . . . 0.0 110.033 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.24 -61.0 2.14 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.886 -1.134 . . . . 0.0 112.476 158.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -52.59 -25.75 11.48 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.098 -1.001 . . . . 0.0 112.804 -164.073 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.34 -163.24 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.268 -0.895 . . . . 0.0 112.723 172.698 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -73.4 0.63 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.236 -0.915 . . . . 0.0 110.05 154.811 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.47 11.32 2.06 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -161.381 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.09 32.92 19.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.068 -1.02 . . . . 0.0 113.202 -173.046 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.78 63.87 1.72 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.047 0.939 . . . . 0.0 112.613 154.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.59 -32.4 2.87 Favored Glycine 0 CA--C 1.571 3.589 0 O-C-N 121.298 -0.876 . . . . 0.0 115.224 -162.446 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 131.38 32.31 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.175 -1.191 . . . . 0.0 113.859 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.944 HG22 ' HB2' ' B' ' 62' ' ' GLU . 53.6 mt -105.96 145.78 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.208 -0.932 . . . . 0.0 110.2 -158.139 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -120.22 176.93 5.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.958 -1.089 . . . . 0.0 112.838 167.422 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.454 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -59.1 -36.56 75.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.046 -1.034 . . . . 0.0 111.957 -157.804 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -77.58 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.573 1.149 . . . . 0.0 113.821 167.168 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.944 ' HB2' HG22 ' B' ' 58' ' ' ILE . 5.0 mm-40 -31.01 -43.58 0.05 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 168.228 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.692 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 44.2 t80 -57.77 -46.31 84.73 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.188 -0.945 . . . . 0.0 111.86 179.224 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.82 -32.97 74.91 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.278 -0.889 . . . . 0.0 111.763 -176.219 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.55 -36.72 21.94 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 -178.268 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 2.5 ttm -53.48 -50.54 65.12 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.235 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -54.45 18.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.262 -0.899 . . . . 0.0 110.541 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -166.457 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.597 0.713 . . . . 0.0 111.721 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.91 -68.27 0.34 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.23 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -25.92 53.92 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -171.148 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mp -74.92 -21.95 58.9 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.134 0.974 . . . . 0.0 111.743 169.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.32 -56.4 6.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 164.527 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -39.29 -60.38 0.92 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.218 -0.926 . . . . 0.0 113.203 163.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.48 -43.51 79.71 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.843 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.2 -44.78 94.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.133 -0.979 . . . . 0.0 112.32 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -30.77 43.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.13 -0.981 . . . . 0.0 112.868 178.089 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -66.3 -37.77 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 124.198 0.999 . . . . 0.0 110.334 176.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -63.61 -30.68 71.76 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.967 0.907 . . . . 0.0 110.396 -174.059 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -74.18 133.38 42.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.229 -0.919 . . . . 0.0 112.808 -163.419 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -69.23 -58.4 4.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.189 -0.944 . . . . 0.0 109.298 175.641 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 8.6 t-20 -88.51 -28.94 20.47 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.574 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 78.18 50.03 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 167.624 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.29 10.38 34.37 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.205 -0.935 . . . . 0.0 112.712 160.411 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.15 17.12 67.76 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.083 -1.01 . . . . 0.0 115.099 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -116.24 164.13 14.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.281 -1.129 . . . . 0.0 111.672 -176.398 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.702 HG22 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -102.49 131.66 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.126 -0.984 . . . . 0.0 110.288 163.581 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 162.12 14.18 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.186 -0.946 . . . . 0.0 112.641 -178.762 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -12.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.9 . . . . 0.0 110.488 174.194 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -77.76 -37.1 49.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.559 -1.338 . . . . 0.0 113.742 169.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.702 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -75.22 -48.38 23.72 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -173.27 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD13 HG12 ' B' ' 43' ' ' ILE . 2.4 tm? -36.79 -69.4 0.11 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.078 1.351 . . . . 0.0 112.075 177.225 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -56.8 -41.84 91.24 Favored Glycine 0 CA--C 1.571 3.545 0 O-C-N 121.097 -1.002 . . . . 0.0 115.147 -169.074 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -33.93 59.1 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.2 -1.176 . . . . 0.0 113.869 -178.745 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.16 -66.5 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 164.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 27' ' ' LEU . 1.3 pp -59.15 -13.21 6.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.987 -1.07 . . . . 0.0 111.686 -169.637 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.526 ' N ' HD13 ' A' ' 31' ' ' LEU . 2.3 tpp85 -96.11 -37.93 10.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.149 -0.969 . . . . 0.0 110.779 172.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -165.17 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.97 -20.89 66.72 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.99 -41.18 29.66 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.247 -0.908 . . . . 0.0 112.712 179.32 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.597 HG12 HD13 ' A' ' 27' ' ' LEU . 6.2 mt -58.2 -52.41 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.142 -0.974 . . . . 0.0 110.221 164.477 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.23 -30.75 71.66 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.74 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.95 -28.48 57.96 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.045 0.938 . . . . 0.0 112.7 174.281 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.73 -47.03 56.54 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 167.622 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.697 ' HE3' HG13 ' B' ' 58' ' ' ILE . 7.4 tpt -86.57 19.38 2.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.852 -1.155 . . . . 0.0 112.076 170.897 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -48.12 4.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.233 -0.917 . . . . 0.0 109.86 157.205 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.56 -49.37 63.57 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.346 -0.846 . . . . 0.0 112.494 -173.189 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -13.89 59.87 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.263 -0.898 . . . . 0.0 113.053 172.802 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -82.14 16.12 2.09 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.151 -0.968 . . . . 0.0 112.655 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' B' ' 53' ' ' ASN . 0.0 OUTLIER -60.4 -43.64 96.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.21 -0.931 . . . . 0.0 109.971 -166.071 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . 0.413 ' N ' ' HG2' ' B' ' 52' ' ' LYS . 9.1 p30 -71.59 -1.17 12.63 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -168.791 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 62.4 41.68 9.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.752 -1.217 . . . . 0.0 113.232 -176.763 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -109.99 75.23 0.93 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.954 1.301 . . . . 0.0 112.637 154.176 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.97 2.56 0.03 OUTLIER Glycine 0 CA--C 1.571 3.541 0 O-C-N 121.278 -0.889 . . . . 0.0 115.158 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.5 146.64 41.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.277 -1.131 . . . . 0.0 113.843 157.119 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.886 HG22 ' CB ' ' B' ' 62' ' ' GLU . 68.2 mt -104.5 151.89 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.231 -162.148 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -111.51 -170.57 1.67 Allowed 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.38 1.072 . . . . 0.0 112.81 164.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.63 -29.93 67.53 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.817 -1.177 . . . . 0.0 112.065 -171.621 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.93 -83.02 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.122 0 CA-C-O 124.748 2.213 . . . . 0.0 111.41 169.871 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.886 ' CB ' HG22 ' B' ' 58' ' ' ILE . 1.8 mp0 -21.02 -44.18 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.666 162.469 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.87 -51.03 71.44 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.823 0.82 . . . . 0.0 111.642 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.05 -31.55 70.08 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.649 1.18 . . . . 0.0 111.817 176.132 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -37.59 69.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.112 -0.993 . . . . 0.0 109.294 171.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.661 ' HE2' HD11 ' B' ' 58' ' ' ILE . 1.5 ttp -74.18 -31.31 62.63 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -82.19 0.05 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.22 -0.925 . . . . 0.0 110.585 160.427 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -164.495 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.99 -37.0 85.39 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.821 -1.174 . . . . 0.0 113.863 -161.136 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -46.1 13.58 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -177.574 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.77 HD11 HD22 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -63.17 -13.14 33.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.175 -0.953 . . . . 0.0 111.785 166.454 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.77 -46.43 11.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 171.408 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -50.94 -43.3 60.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.264 -0.898 . . . . 0.0 113.243 162.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.9 56.06 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.648 ' HE1' HG13 ' A' ' 22' ' ' ILE . 16.7 t80 -68.44 -35.42 77.58 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.232 -0.918 . . . . 0.0 112.205 173.633 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -66.18 -40.38 90.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.927 165.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -71.57 -28.17 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 124.328 1.051 . . . . 0.0 110.272 -173.218 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.6 ' HD2' ' CE2' ' B' ' 63' ' ' PHE . 5.5 m-85 -73.8 -43.53 58.61 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.059 0.944 . . . . 0.0 110.412 174.436 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -70.57 125.07 25.78 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.227 -0.92 . . . . 0.0 112.786 -175.061 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.93 83.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.066 -1.022 . . . . 0.0 109.221 -165.723 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -114.16 0.47 14.25 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.28 46.99 12.03 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 163.183 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -87.26 8.63 23.33 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.216 -0.928 . . . . 0.0 112.677 161.407 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.05 35.15 71.1 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.19 -0.944 . . . . 0.0 115.141 -178.221 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.23 158.57 33.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.294 -1.121 . . . . 0.0 111.629 169.824 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.648 HG13 ' HE1' ' A' ' 11' ' ' PHE . 1.8 mt -109.1 153.16 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.015 -1.053 . . . . 0.0 110.22 160.109 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -129.54 167.61 17.64 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.031 -1.043 . . . . 0.0 112.726 168.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.624 HD13 HG21 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -61.18 -30.46 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.256 -0.903 . . . . 0.0 110.156 -178.806 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -23.09 39.48 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.873 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.77 -29.05 61.0 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 164.225 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.588 HD22 ' C ' ' A' ' 27' ' ' LEU . 2.1 tt -63.57 -70.06 0.24 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.105 -0.997 . . . . 0.0 111.872 -163.078 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.65 -28.79 47.08 Favored Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.223 -0.923 . . . . 0.0 115.118 178.663 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.79 -45.74 88.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -1.168 . . . . 0.0 113.908 171.186 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 HG13 ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -50.73 -57.27 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.147 -0.971 . . . . 0.0 110.203 168.193 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.514 HD13 HD13 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -60.95 -15.76 34.91 Favored 'General case' 0 CA--C 1.574 1.895 0 O-C-N 121.134 -0.979 . . . . 0.0 111.42 -176.577 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -119.28 -2.11 10.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.234 -0.916 . . . . 0.0 111.392 -177.293 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.99 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 178.739 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -16.11 61.82 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.365 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.88 -33.85 22.71 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.227 -0.921 . . . . 0.0 112.698 168.725 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.624 HG21 HD13 ' A' ' 24' ' ' ILE . 9.1 mm -57.58 -39.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.069 -1.02 . . . . 0.0 110.226 161.808 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -34.38 71.31 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.731 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -59.58 -48.61 80.99 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.0 112.679 167.109 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -74.11 -45.19 50.57 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.661 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.728 ' HE2' HD13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -86.73 5.62 35.41 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.045 -1.035 . . . . 0.0 112.159 -179.518 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -33.04 12.0 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.257 -0.902 . . . . 0.0 110.084 157.071 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.15 -23.94 65.84 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.565 -0.71 . . . . 0.0 112.442 -178.78 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -102.11 -43.87 5.62 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.338 -0.851 . . . . 0.0 112.923 171.851 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.89 -3.32 50.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.222 -0.924 . . . . 0.0 112.755 -155.202 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 16.51 0.14 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.136 -0.978 . . . . 0.0 110.497 -161.092 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.58 9.18 1.14 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 113.612 164.114 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 m120 60.23 35.87 20.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.916 -1.115 . . . . 0.0 113.27 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.71 67.06 0.75 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.001 1.32 . . . . 0.0 112.565 154.541 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.4 1.05 Allowed Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.183 0.833 . . . . 0.0 115.183 -166.203 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -101.72 154.89 18.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -1.172 . . . . 0.0 113.821 174.526 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.999 HG22 ' HB2' ' B' ' 62' ' ' GLU . 14.2 mt -107.34 149.72 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.171 -0.955 . . . . 0.0 110.195 -154.454 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -125.06 -175.85 3.41 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.095 -1.003 . . . . 0.0 112.866 169.585 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -59.46 -40.81 88.06 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.79 -1.194 . . . . 0.0 112.322 -163.801 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -78.46 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.768 -1.207 . . . . 0.0 113.604 166.124 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.999 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.5 mt-10 -34.27 -39.86 0.08 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 172.449 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.6 ' CE2' ' HD2' ' A' ' 14' ' ' PHE . 52.4 t80 -57.02 -54.01 51.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.596 -1.315 . . . . 0.0 112.175 175.536 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 7' ' ' LEU . 53.1 mt -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.302 -0.874 . . . . 0.0 111.767 -178.408 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -81.48 -44.6 17.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -178.284 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 14.8 ttp -60.3 -33.57 72.56 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -85.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.191 -0.943 . . . . 0.0 110.531 161.447 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 N--CA 1.497 1.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -155.456 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' HG2' ' CZ ' ' B' ' 60' ' ' PHE 0.258 7.5 tt0 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 121.111 0.481 . . . . 0.0 111.935 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.796 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 4.0 tt0 -55.38 -44.33 75.97 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -157.522 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.66 -51.94 8.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.403 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.994 HD11 HD22 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -46.92 -46.15 21.09 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.144 -0.973 . . . . 0.0 111.675 160.222 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -42.24 -69.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 166.417 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -48.33 -48.94 35.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.198 -0.939 . . . . 0.0 113.254 178.571 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.08 70.82 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.438 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.692 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 69.7 t80 -72.41 -30.81 64.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.132 -0.98 . . . . 0.0 112.132 173.504 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -69.31 -49.86 51.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.108 -0.995 . . . . 0.0 112.869 162.724 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.125 0.97 . . . . 0.0 110.306 -167.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.468 ' HB3' HD12 ' A' ' 30' ' ' ILE . 12.8 m-85 -63.0 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.28 -0.888 . . . . 0.0 110.395 162.202 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -46.7 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.191 -0.943 . . . . 0.0 112.846 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 36.59 0.97 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.14 -0.975 . . . . 0.0 109.408 -165.345 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -165.02 -32.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.13 37.45 0.98 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 157.669 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -54.58 -28.85 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.22 -0.925 . . . . 0.0 112.748 156.517 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.97 -39.05 0.96 Allowed Glycine 0 CA--C 1.572 3.627 0 O-C-N 121.202 -0.936 . . . . 0.0 115.138 -179.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -109.82 173.27 6.4 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.256 -1.143 . . . . 0.0 111.774 -158.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.537 HD11 ' HD2' ' B' ' 63' ' ' PHE . 18.1 mt -112.87 141.65 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.955 -1.091 . . . . 0.0 110.297 164.617 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.85 164.43 20.04 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.16 -0.963 . . . . 0.0 112.699 -169.346 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.81 -21.76 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.198 -0.939 . . . . 0.0 110.339 -179.274 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.9 -31.59 63.19 Favored 'General case' 0 CA--C 1.573 1.827 0 O-C-N 120.899 -1.126 . . . . 0.0 113.715 169.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -74.05 -29.36 61.86 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 165.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 28' ' ' GLY . 2.2 tm? -51.78 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.109 0.964 . . . . 0.0 111.903 -178.149 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.59 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -51.69 -29.81 26.45 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.138 -0.976 . . . . 0.0 115.11 -177.14 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.66 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 10.4 tt0 -80.49 -29.42 37.37 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -1.131 . . . . 0.0 113.866 -179.206 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 14' ' ' PHE . 61.8 mt -53.81 -71.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.216 -0.928 . . . . 0.0 110.248 155.391 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.21 -11.81 58.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.192 -0.942 . . . . 0.0 111.728 -163.729 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -106.38 -20.41 13.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 110.833 174.547 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.66 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -67.18 -49.68 63.77 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.022 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.99 -42.97 99.99 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 112.638 178.4 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.505 HG23 HD11 ' A' ' 27' ' ' LEU . 5.5 mm -65.46 -32.42 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.255 -0.903 . . . . 0.0 110.272 176.605 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -41.51 92.35 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.153 -0.967 . . . . 0.0 113.555 168.234 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.46 -40.33 68.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.391 -0.818 . . . . 0.0 112.651 172.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -51.64 66.85 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 162.325 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.48 20.73 1.62 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.83 -1.169 . . . . 0.0 112.049 -166.433 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -136.81 -26.67 1.05 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.462 -0.773 . . . . 0.0 110.819 160.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.55 -25.27 66.04 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.091 -1.006 . . . . 0.0 112.251 167.366 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -98.31 -59.7 1.7 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.399 -0.813 . . . . 0.0 112.973 158.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.25 142.78 30.88 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.276 -0.89 . . . . 0.0 112.868 -154.311 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 115.06 18.35 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.138 -0.976 . . . . 0.0 109.865 153.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.39 -57.77 4.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 113.148 -154.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 42.74 89.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -157.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 0.83 54.29 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.725 -152.682 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.14 40.27 8.07 Favored Glycine 0 CA--C 1.572 3.616 0 O-C-N 121.236 -0.915 . . . . 0.0 115.134 154.437 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -141.92 136.55 30.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.248 -1.148 . . . . 0.0 113.927 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.769 HG22 ' HB2' ' B' ' 62' ' ' GLU . 74.3 mt -110.43 139.18 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.229 -0.919 . . . . 0.0 110.307 -169.524 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -115.68 177.39 4.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.903 -1.123 . . . . 0.0 112.804 167.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.428 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -59.48 -37.2 77.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.848 -1.158 . . . . 0.0 112.196 -161.9 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.57 -78.9 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.688 0 O-C-N 120.849 -1.157 . . . . 0.0 113.746 164.659 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.769 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.2 mt-10 -35.05 -31.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 171.52 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.692 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 38.1 t80 -62.05 -54.02 47.29 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.49 -1.382 . . . . 0.0 111.978 172.552 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.994 HD22 HD11 ' A' ' 7' ' ' LEU . 62.6 mt -59.13 -28.1 66.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 111.773 -177.115 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -88.33 -41.59 12.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.174 -0.954 . . . . 0.0 109.362 -178.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.3 ttp -50.61 -41.31 54.73 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 170.119 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.5 tpt -79.83 -60.83 2.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.919 . . . . 0.0 110.555 175.469 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -159.476 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 4.7 pt-20 . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 121.224 0.535 . . . . 0.0 111.87 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.89 -17.92 56.77 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.361 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.62 -19.54 18.23 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 178.023 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.1 mt -73.09 -17.31 61.42 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.985 0.914 . . . . 0.0 111.754 155.312 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -85.09 -34.69 22.17 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 170.386 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -70.41 -31.81 69.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.214 -0.929 . . . . 0.0 113.291 163.596 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -69.99 -41.7 74.05 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.543 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.716 ' HE1' HG13 ' A' ' 22' ' ' ILE . 5.9 t80 -70.81 -37.85 73.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.303 -0.873 . . . . 0.0 112.06 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 112.881 164.561 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -64.34 -31.24 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 123.952 0.901 . . . . 0.0 110.343 -171.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE2' HG22 ' A' ' 30' ' ' ILE . 3.1 m-30 -70.74 -35.82 72.85 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.395 173.102 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -78.31 102.33 7.63 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.212 -0.93 . . . . 0.0 112.849 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.665 ' HE3' HD22 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -93.77 21.85 6.11 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.153 -0.967 . . . . 0.0 109.784 -168.02 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.665 HD22 ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -139.26 -27.45 0.8 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 168.338 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.63 54.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 156.524 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.16 11.47 31.26 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.423 1.089 . . . . 0.0 112.715 158.93 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.31 71.43 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.071 -1.018 . . . . 0.0 115.15 175.287 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.54 169.43 10.68 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.258 -1.142 . . . . 0.0 111.719 178.081 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' HE1' ' A' ' 11' ' ' PHE . 8.0 mt -113.22 160.61 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.193 -0.942 . . . . 0.0 110.233 163.887 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.27 167.41 10.21 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.12 -0.987 . . . . 0.0 112.679 167.161 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.567 HD11 ' SD ' ' B' ' 47' ' ' MET . 3.3 tt -62.19 -30.56 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.097 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -74.14 -33.92 63.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' O ' HD11 ' A' ' 30' ' ' ILE . 62.6 mt-10 -70.78 -36.64 73.15 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 170.733 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.875 HD13 HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -43.34 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.904 . . . . 0.0 111.903 -179.656 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.23 -43.51 4.64 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.177 -0.952 . . . . 0.0 115.134 -172.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -27.9 48.68 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.245 -1.15 . . . . 0.0 113.925 -173.349 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -53.58 -60.46 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.244 -0.91 . . . . 0.0 110.174 156.594 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.875 HD12 HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -54.66 -31.98 58.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.146 -0.971 . . . . 0.0 111.367 -173.523 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -54.41 6.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.819 . . . . 0.0 110.774 -176.83 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -169.231 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.66 -19.03 64.57 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.57 -42.21 15.69 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 112.64 178.372 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.04 -26.75 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.265 -0.897 . . . . 0.0 110.278 167.352 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -31.82 36.57 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 173.247 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.36 -41.95 99.01 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.244 -0.91 . . . . 0.0 112.666 169.595 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -76.68 -43.86 36.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.242 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -86.56 13.71 8.04 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 112.224 178.36 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -28.55 7.68 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.219 -0.926 . . . . 0.0 110.113 163.697 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.34 -38.54 85.02 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.859 -1.151 . . . . 0.0 112.474 165.024 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.9 t -101.82 -28.53 12.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.24 -0.913 . . . . 0.0 112.837 -168.546 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.12 99.71 0.1 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.265 -0.897 . . . . 0.0 112.719 178.64 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -60.28 -75.18 0.06 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.238 -0.914 . . . . 0.0 109.987 169.548 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -68.96 -3.8 14.24 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.25 -0.906 . . . . 0.0 113.308 -156.254 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.9 m120 50.52 25.82 2.14 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.082 -1.011 . . . . 0.0 113.289 177.619 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.23 -17.71 23.35 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.257 -0.902 . . . . 0.0 112.812 163.14 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.34 19.82 17.42 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 120.889 -1.132 . . . . 0.0 115.225 170.16 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.6 147.93 28.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.16 -1.2 . . . . 0.0 113.849 -168.464 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' B' ' 62' ' ' GLU . 61.0 mt -108.36 155.83 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.162 -0.961 . . . . 0.0 110.154 -160.103 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -131.28 -173.2 3.04 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.186 0.994 . . . . 0.0 112.783 165.164 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 3.9 t80 -64.55 -40.31 95.34 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.797 -1.189 . . . . 0.0 112.116 -156.094 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -76.82 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.689 0 O-C-N 120.852 -1.155 . . . . 0.0 113.551 166.079 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.756 ' HB2' HG22 ' B' ' 58' ' ' ILE . 0.3 OUTLIER -29.13 -49.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 169.24 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -53.45 -45.57 69.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.447 -0.783 . . . . 0.0 112.194 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.74 -35.1 78.68 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.219 -0.925 . . . . 0.0 111.784 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -88.98 -40.94 12.67 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.158 -0.963 . . . . 0.0 109.35 -171.577 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.691 ' HE3' HD12 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -60.03 -17.82 41.73 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 168.817 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -77.1 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.191 -0.943 . . . . 0.0 110.559 171.119 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -174.828 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.6 pt-20 . . . . . 0 N--CA 1.498 1.925 0 CA-C-O 121.232 0.539 . . . . 0.0 111.824 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.776 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 4.5 tt0 -54.02 -30.3 47.05 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -165.764 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -86.14 -56.02 3.65 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -172.264 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.555 HD21 HD22 ' B' ' 64' ' ' LEU . 2.9 mp -52.1 -13.96 0.37 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.23 -0.919 . . . . 0.0 111.769 158.096 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -76.49 -50.17 14.68 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 168.887 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.77 -43.85 94.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 113.203 168.223 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -36.43 84.06 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 176.581 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.794 ' HE1' HG13 ' A' ' 22' ' ' ILE . 4.9 t80 -72.78 -34.6 67.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.289 -0.882 . . . . 0.0 112.181 177.364 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -62.03 -44.98 95.54 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.209 -0.932 . . . . 0.0 112.94 161.196 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -79.3 -33.01 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 C-N-CA 124.41 1.084 . . . . 0.0 110.181 -163.701 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -55.43 -39.89 70.84 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.271 -0.893 . . . . 0.0 110.41 166.766 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -78.47 138.6 38.53 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.179 -0.951 . . . . 0.0 112.807 -168.124 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.696 ' HG2' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.05 -63.95 0.95 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.088 -1.007 . . . . 0.0 109.26 165.775 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.696 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 48.5 t-20 -90.31 -36.93 14.39 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -156.914 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 73.33 36.72 0.79 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 170.315 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.02 4.49 8.27 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.285 -0.884 . . . . 0.0 112.957 155.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.83 -4.99 57.94 Favored Glycine 0 CA--C 1.57 3.514 0 O-C-N 120.721 -1.237 . . . . 0.0 115.359 167.683 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -118.13 152.41 35.67 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.087 -1.243 . . . . 0.0 111.757 -175.645 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.794 HG13 ' HE1' ' A' ' 11' ' ' PHE . 5.6 mt -104.09 133.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.074 -1.016 . . . . 0.0 110.28 165.904 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -102.23 168.83 9.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.149 -0.969 . . . . 0.0 112.79 178.394 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -66.03 -25.15 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.283 -0.886 . . . . 0.0 110.364 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.21 -40.19 90.17 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.856 -1.153 . . . . 0.0 113.645 169.547 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -43.53 76.72 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 177.447 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD21 HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -47.44 -70.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.48 1.112 . . . . 0.0 111.954 -175.872 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.701 ' CA ' HD13 ' A' ' 31' ' ' LEU . . . -27.79 -52.82 0.1 OUTLIER Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.098 -1.001 . . . . 0.0 115.152 163.184 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -73.08 -30.29 63.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.286 -1.126 . . . . 0.0 113.868 -172.628 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -60.76 -61.3 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.224 -0.923 . . . . 0.0 110.254 165.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.701 HD13 ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.46 -31.39 23.11 Favored 'General case' 0 CA--C 1.575 1.913 0 O-C-N 121.206 -0.934 . . . . 0.0 111.317 -178.683 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -101.35 -32.63 10.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.4 -0.813 . . . . 0.0 110.84 -165.23 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.394 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.99 -31.69 71.58 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -179.242 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.59 -42.96 93.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.951 . . . . 0.0 112.659 163.642 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.53 -39.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.148 -0.97 . . . . 0.0 110.26 174.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.2 77.39 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.502 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -70.08 -47.71 60.77 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 123.873 0.869 . . . . 0.0 112.7 175.039 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -58.55 -44.07 89.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.549 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -68.89 -36.58 78.24 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.188 -0.945 . . . . 0.0 112.091 179.376 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -31.45 72.08 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.111 0.964 . . . . 0.0 110.245 172.447 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -60.7 -70.68 0.16 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.477 -0.764 . . . . 0.0 112.371 172.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -59.16 -31.3 68.85 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.185 -0.947 . . . . 0.0 112.71 -176.683 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -75.61 142.95 42.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.185 -0.947 . . . . 0.0 112.675 -173.117 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -160.5 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.217 -0.927 . . . . 0.0 109.91 154.858 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.91 -56.58 4.61 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.171 -0.956 . . . . 0.0 113.107 -170.138 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.22 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 157.449 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -34.35 -34.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.629 1.172 . . . . 0.0 112.8 166.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.15 -66.44 0.08 OUTLIER Glycine 0 CA--C 1.57 3.494 0 O-C-N 121.013 -1.054 . . . . 0.0 115.369 167.511 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 mtm-85 -93.21 167.59 11.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.069 -1.253 . . . . 0.0 114.163 -154.198 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.981 HG22 ' HB2' ' B' ' 62' ' ' GLU . 21.4 mt -109.05 138.72 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 C-N-CA 124.013 0.925 . . . . 0.0 110.311 -169.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -130.08 179.64 5.76 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.033 -1.042 . . . . 0.0 112.884 174.543 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.475 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -55.8 -39.9 71.97 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.702 -1.249 . . . . 0.0 112.208 -154.506 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.71 -76.73 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.717 -1.239 . . . . 0.0 113.584 163.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.981 ' HB2' HG22 ' B' ' 58' ' ' ILE . 2.9 mm-40 -32.36 -47.42 0.15 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 169.069 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -54.21 -43.03 70.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.087 -1.008 . . . . 0.0 112.199 179.539 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 7' ' ' LEU . 32.8 mt -66.08 -41.21 91.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.235 -0.916 . . . . 0.0 111.772 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' B' ' 65' ' ' LYS . 1.6 mmmm -75.89 -39.4 56.48 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.209 -0.932 . . . . 0.0 109.312 -176.198 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.488 ' HB3' ' HE3' ' B' ' 66' ' ' MET . 33.4 ttp -68.08 -22.9 64.89 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 174.138 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 6.0 tpt -74.56 -38.3 62.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.187 -0.946 . . . . 0.0 110.545 171.468 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 . . . . . 0 N--CA 1.497 1.903 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.096 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 121.099 0.476 . . . . 0.0 111.933 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.71 -57.55 10.41 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 167.255 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.67 -33.75 68.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -175.096 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.695 HD11 ' CD2' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -74.15 -28.05 61.13 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.213 1.005 . . . . 0.0 111.746 171.921 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.03 17.18 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 168.626 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -45.21 -49.09 12.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.278 -0.888 . . . . 0.0 113.24 164.554 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.24 79.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 175.215 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.743 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 79.4 t80 -69.95 -44.02 70.39 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.296 -0.877 . . . . 0.0 112.185 -178.932 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -56.85 -51.3 69.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.189 -0.944 . . . . 0.0 112.885 164.041 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.69 -29.27 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 C-N-CA 123.819 0.848 . . . . 0.0 110.327 -169.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.73 -53.62 12.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.299 -0.876 . . . . 0.0 110.408 177.609 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.28 124.36 24.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.185 -0.947 . . . . 0.0 112.76 -165.031 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -43.68 98.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.04 -1.037 . . . . 0.0 109.173 -164.553 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.16 -42.52 6.67 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -173.173 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.4 66.04 0.08 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 156.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -11.9 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.015 0.926 . . . . 0.0 112.891 154.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.41 27.7 1.43 Allowed Glycine 0 CA--C 1.571 3.564 0 O-C-N 120.723 -1.236 . . . . 0.0 115.07 166.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -116.45 164.06 15.13 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -1.089 . . . . 0.0 111.643 166.673 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.924 HG22 ' CD ' ' A' ' 26' ' ' GLU . 1.3 mt -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.029 -1.044 . . . . 0.0 110.236 156.348 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.18 167.69 9.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.044 -1.035 . . . . 0.0 112.717 175.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.573 ' O ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -72.68 -9.67 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 123.885 0.874 . . . . 0.0 110.483 176.75 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -41.12 23.14 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.519 -1.363 . . . . 0.0 113.564 170.061 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.924 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -72.92 -43.59 62.21 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.79 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.487 HD22 HD22 ' A' ' 31' ' ' LEU . 8.6 tt -68.11 -44.01 77.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.224 -0.923 . . . . 0.0 111.877 -161.813 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.96 -54.72 17.39 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.2 -0.938 . . . . 0.0 115.168 166.608 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -51.75 -41.63 61.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.303 -1.116 . . . . 0.0 113.87 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -60.57 -63.67 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.253 -0.904 . . . . 0.0 110.217 173.484 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.487 HD22 HD22 ' A' ' 27' ' ' LEU . 4.0 pp -58.2 -5.86 0.54 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.131 -0.981 . . . . 0.0 111.608 -178.01 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -75.9 0.58 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.202 -0.936 . . . . 0.0 110.792 165.372 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -160.096 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.09 -27.49 65.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -171.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -72.65 -46.46 53.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.228 -0.92 . . . . 0.0 112.699 171.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.428 HG21 HD13 ' A' ' 24' ' ' ILE . 4.1 mm -61.56 -32.3 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.203 -0.936 . . . . 0.0 110.219 174.274 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -38.2 86.62 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.793 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.26 -29.39 68.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.359 -0.838 . . . . 0.0 112.665 170.559 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.0 -51.88 49.54 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 172.059 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.465 ' HE3' HG13 ' B' ' 58' ' ' ILE . 12.8 tpt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.895 -1.128 . . . . 0.0 112.024 -175.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -83.15 -31.26 27.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.271 -0.893 . . . . 0.0 109.932 -177.598 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.27 -41.89 84.77 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.23 -0.919 . . . . 0.0 112.483 171.284 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.7 m -62.95 -32.19 73.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.255 -0.903 . . . . 0.0 112.893 167.641 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -69.01 151.25 46.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.248 -0.908 . . . . 0.0 112.647 -177.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.7 -84.22 0.66 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.958 -1.089 . . . . 0.0 110.26 175.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -78.71 18.56 0.58 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.486 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.5 m120 72.18 36.5 1.09 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.808 1.243 . . . . 0.0 113.162 169.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.11 74.58 1.75 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.159 0.984 . . . . 0.0 112.706 154.367 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -39.15 -22.43 0.02 OUTLIER Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.142 -0.974 . . . . 0.0 115.138 167.593 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -125.72 151.38 46.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.217 -1.166 . . . . 0.0 113.949 175.755 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 1.015 HG22 ' HB2' ' B' ' 62' ' ' GLU . 56.6 mt -112.41 148.0 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.223 -0.923 . . . . 0.0 110.518 -167.246 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -121.12 -169.11 1.78 Allowed 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 124.225 1.01 . . . . 0.0 112.794 171.608 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.86 -42.24 97.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.841 -1.162 . . . . 0.0 112.237 -173.409 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.74 -78.49 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.704 0 O-C-N 120.738 -1.226 . . . . 0.0 113.623 167.287 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 1.015 ' HB2' HG22 ' B' ' 58' ' ' ILE . 3.8 mm-40 -33.25 -40.84 0.07 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 171.479 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.743 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 2.3 t80 -57.19 -50.76 71.85 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.818 -1.177 . . . . 0.0 112.067 176.653 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.695 ' CD2' HD11 ' A' ' 7' ' ' LEU . 58.6 mt -65.1 -22.89 67.01 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.293 -0.879 . . . . 0.0 111.755 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -87.36 -40.09 14.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.109 -0.994 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -21.67 28.5 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 167.243 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.18 -82.47 0.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.196 -0.94 . . . . 0.0 110.553 162.23 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.495 1.818 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -165.521 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.5 mt-10 . . . . . 0 N--CA 1.498 1.929 0 CA-C-O 121.172 0.51 . . . . 0.0 111.848 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.481 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 4.6 tt0 -50.39 -46.25 56.01 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.113 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.21 -30.75 15.04 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -168.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 26.2 mt -72.18 -15.66 61.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.162 -0.961 . . . . 0.0 111.755 162.581 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -72.25 -59.66 2.62 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.192 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -40.28 -57.06 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.95 0.9 . . . . 0.0 113.238 161.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -56.6 -41.1 76.45 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.324 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.806 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 16.2 t80 -76.31 -30.02 57.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.276 -0.89 . . . . 0.0 112.131 -172.519 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -83.32 -31.24 26.94 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.171 -0.956 . . . . 0.0 112.922 176.647 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.99 -36.59 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.257 1.023 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -61.57 -42.44 98.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.386 -0.821 . . . . 0.0 110.394 173.175 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -73.07 127.85 33.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.2 -0.938 . . . . 0.0 112.824 -173.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.4 -44.82 34.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.113 -0.992 . . . . 0.0 109.333 178.854 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.78 -23.06 15.11 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -162.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.44 44.05 7.48 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 163.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -78.94 -19.67 51.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.236 -0.915 . . . . 0.0 112.717 154.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.17 -22.54 3.98 Favored Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.534 0.974 . . . . 0.0 115.534 -177.016 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -114.7 162.12 17.24 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -1.195 . . . . 0.0 111.694 -156.464 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.614 ' CD1' ' HE1' ' A' ' 11' ' ' PHE . 64.1 mt -109.95 143.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 124.078 0.951 . . . . 0.0 110.263 168.713 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -102.46 157.89 16.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.107 -0.996 . . . . 0.0 112.664 175.036 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.57 HD12 ' CG ' ' B' ' 47' ' ' MET . 0.3 OUTLIER -52.01 -30.46 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.434 -0.792 . . . . 0.0 110.08 177.638 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.17 -30.88 43.71 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -174.52 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -73.46 -27.53 61.46 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.376 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 HD21 ' CG2' ' B' ' 43' ' ' ILE . 9.7 tt -42.85 -61.97 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.347 -0.846 . . . . 0.0 111.942 177.804 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.16 -30.65 77.25 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.04 -1.037 . . . . 0.0 115.082 -170.012 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.2 -30.69 49.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.267 -1.137 . . . . 0.0 113.895 171.403 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.03 -58.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.252 -0.905 . . . . 0.0 110.215 168.491 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -50.2 70.62 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.23 -0.919 . . . . 0.0 111.222 176.062 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 5.3 tpt180 -84.62 -41.75 16.06 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.236 -0.915 . . . . 0.0 110.851 -159.903 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -156.297 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.497 1.887 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -66.51 -36.19 82.11 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -167.388 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.16 -49.33 78.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.204 -0.935 . . . . 0.0 112.656 167.204 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.4 ' CG2' HD21 ' A' ' 27' ' ' LEU . 4.0 mm -64.28 -34.25 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 179.391 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -39.94 91.92 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 174.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -63.3 -35.36 80.09 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.335 -0.853 . . . . 0.0 112.641 169.528 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.55 -53.76 14.8 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.162 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.902 ' HE1' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -96.78 14.99 23.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.852 -1.155 . . . . 0.0 112.107 -174.037 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -112.14 -30.09 7.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 163.315 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -67.45 -63.73 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.867 -1.146 . . . . 0.0 112.459 166.135 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 58.1 m -67.34 -29.47 69.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.121 -0.987 . . . . 0.0 112.882 -178.2 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -82.67 72.34 9.74 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.153 -0.967 . . . . 0.0 112.709 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -67.15 0.56 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -167.562 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.32 9.02 3.46 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -159.43 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 59.37 51.11 6.97 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.036 -1.04 . . . . 0.0 113.303 -169.464 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 67.55 2.1 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.055 0.942 . . . . 0.0 112.668 154.513 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.66 -17.98 1.55 Allowed Glycine 0 CA--C 1.571 3.557 0 O-C-N 121.197 -0.939 . . . . 0.0 115.206 -168.062 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -104.35 138.99 39.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.113 -1.228 . . . . 0.0 113.849 171.512 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.902 ' CD1' ' HE1' ' B' ' 47' ' ' MET . 69.8 mt -109.26 141.76 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.078 -1.014 . . . . 0.0 110.207 -160.69 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -110.06 -174.38 2.48 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.012 -1.055 . . . . 0.0 112.85 -178.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.806 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 61.7 t80 -65.0 -42.65 94.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.983 -1.073 . . . . 0.0 112.068 -172.221 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.95 -79.19 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.678 -1.264 . . . . 0.0 113.605 163.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.736 ' HB3' HG22 ' B' ' 58' ' ' ILE . 37.5 mt-10 -35.59 -34.19 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 172.6 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 1.9 t80 -58.69 -49.3 78.06 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.516 -1.365 . . . . 0.0 111.817 174.268 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.13 -28.15 68.9 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 123.836 0.854 . . . . 0.0 111.866 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.625 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.68 -37.7 24.45 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.063 -1.023 . . . . 0.0 109.32 174.127 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -59.73 -66.69 0.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 174.728 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 tpt -48.65 -67.94 0.23 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 110.578 168.698 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -162.798 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 . . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -52.12 4.0 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -169.383 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -83.5 -21.86 32.68 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -168.421 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.782 HD11 HD22 ' B' ' 64' ' ' LEU . 0.7 OUTLIER -85.58 -21.38 28.53 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.383 1.073 . . . . 0.0 111.788 172.548 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.857 ' HB3' ' CE2' ' B' ' 60' ' ' PHE . . . -78.63 -52.73 8.03 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 167.355 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -39.33 -49.21 1.96 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.223 -0.923 . . . . 0.0 113.181 161.368 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.93 82.49 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 171.918 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 1.005 ' CZ ' HD12 ' A' ' 22' ' ' ILE . 29.5 t80 -75.3 -26.98 59.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.0 112.028 -174.15 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -6.32 39.29 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 123.928 0.891 . . . . 0.0 113.049 172.847 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -79.73 -31.77 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 C-N-CA 124.26 1.024 . . . . 0.0 110.203 167.222 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.799 ' HD2' HD11 ' A' ' 30' ' ' ILE . 2.8 m-30 -62.59 -70.68 0.19 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.999 0.92 . . . . 0.0 110.491 170.238 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -62.44 118.57 7.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.148 -0.97 . . . . 0.0 112.782 -165.253 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HG3' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.79 -32.84 60.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.013 -1.054 . . . . 0.0 109.185 -169.184 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -107.81 -32.79 7.47 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -167.907 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 68.14 47.19 1.05 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.18 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.85 6.52 4.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.214 -0.929 . . . . 0.0 112.852 154.422 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.448 ' O ' ' HE1' ' A' ' 11' ' ' PHE . . . 98.42 -8.7 62.45 Favored Glycine 0 CA--C 1.571 3.543 0 O-C-N 120.565 -1.335 . . . . 0.0 115.304 162.639 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.772 ' HD2' ' HD3' ' B' ' 57' ' ' ARG . 6.8 m-30 -122.68 170.08 10.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -1.214 . . . . 0.0 111.752 -173.681 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 1.005 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -109.02 151.9 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 124.46 1.104 . . . . 0.0 110.254 163.397 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.28 166.03 18.55 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.013 -1.054 . . . . 0.0 112.715 -175.818 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 tt -68.13 -29.64 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.211 -0.931 . . . . 0.0 110.177 -175.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -76.8 -30.8 56.6 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.463 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.579 ' OE2' ' HG3' ' A' ' 16' ' ' LYS . 93.5 mt-10 -78.2 -29.22 48.29 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.874 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.54 HD11 ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -53.46 -55.45 25.17 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.305 1.042 . . . . 0.0 111.974 -169.022 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.62 -48.06 17.51 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.141 -0.974 . . . . 0.0 115.135 174.042 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.48 -19.42 55.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.232 -1.158 . . . . 0.0 113.879 179.151 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.799 HD11 ' HD2' ' A' ' 14' ' ' PHE . 16.4 mt -60.96 -49.04 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 166.657 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.96 -41.52 71.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.169 -0.957 . . . . 0.0 111.339 168.606 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 8.1 ptm180 -127.55 41.23 3.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.407 -0.808 . . . . 0.0 110.798 -170.738 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.889 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 169.934 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.62 -28.81 68.05 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -168.506 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.55 -46.93 87.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.215 -0.928 . . . . 0.0 112.68 164.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -58.97 -53.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.265 -0.897 . . . . 0.0 110.166 -176.009 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.37 70.37 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.341 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -57.58 -35.48 70.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 162.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -76.52 -50.69 13.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 47' ' ' MET . . . . . 0.429 ' CE ' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -59.56 -28.48 67.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.88 -1.138 . . . . 0.0 112.075 173.651 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -92.15 -9.96 40.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.352 -0.842 . . . . 0.0 110.606 178.273 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.05 -51.58 52.9 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.199 -1.563 . . . . 0.0 112.409 157.931 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.9 m -100.56 -27.04 13.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.114 -0.992 . . . . 0.0 112.898 -157.246 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -58.27 120.61 9.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.259 -0.9 . . . . 0.0 112.706 166.152 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.04 -1.038 . . . . 0.0 109.939 165.086 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -64.46 -7.38 9.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.148 -0.97 . . . . 0.0 113.248 -163.31 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.79 41.79 24.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.241 -0.912 . . . . 0.0 113.276 164.123 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -89.5 -22.53 22.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.284 -0.885 . . . . 0.0 112.723 159.59 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.75 39.41 4.96 Favored Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.064 -1.022 . . . . 0.0 115.111 169.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.772 ' HD3' ' HD2' ' A' ' 21' ' ' TYR . 13.4 ttm-85 -130.55 129.77 43.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.269 -1.136 . . . . 0.0 113.77 164.012 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.897 HG22 ' HB2' ' B' ' 62' ' ' GLU . 67.0 mt -100.25 122.6 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.215 1.006 . . . . 0.0 110.157 -173.695 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.32 174.44 5.91 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.932 -1.105 . . . . 0.0 112.749 171.775 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.857 ' CE2' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -52.32 -33.33 42.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.923 -1.11 . . . . 0.0 112.132 -166.513 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.02 -83.96 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.812 2.244 . . . . 0.0 111.433 171.464 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.897 ' HB2' HG22 ' B' ' 58' ' ' ILE . 14.3 mm-40 -23.81 -40.17 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.7 165.733 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.708 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 14.2 t80 -61.03 -50.57 72.78 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.495 -0.753 . . . . 0.0 111.782 177.884 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.782 HD22 HD11 ' A' ' 7' ' ' LEU . 17.0 mt -57.63 -29.86 64.9 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 124.403 1.081 . . . . 0.0 111.904 175.853 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -47.54 13.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.079 -1.013 . . . . 0.0 109.392 -178.31 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.529 ' O ' ' HG2' ' B' ' 66' ' ' MET . 3.1 tmm? -75.53 -4.7 41.36 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -179.79 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.19 -41.0 5.46 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.217 -0.927 . . . . 0.0 110.557 168.525 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -162.163 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 121.169 0.509 . . . . 0.0 111.847 . . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -36.06 -63.66 0.36 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 170.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -72.26 -32.85 67.02 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.774 HD21 ' CD2' ' B' ' 64' ' ' LEU . 5.7 mp -73.23 -19.92 60.97 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.137 0.975 . . . . 0.0 111.773 171.129 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.638 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.6 -44.12 17.69 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 174.164 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -61.99 -39.71 93.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.12 -0.988 . . . . 0.0 113.225 164.385 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.71 74.78 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.456 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.573 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 45.5 t80 -74.45 -28.29 60.97 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.045 -1.034 . . . . 0.0 112.041 -170.477 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.2 ptt180 -73.23 -40.77 64.41 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 124.018 0.927 . . . . 0.0 112.981 165.782 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 mm -64.25 -37.27 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -173.297 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -57.35 -62.47 1.75 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 110.367 172.132 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -75.33 138.02 41.51 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.174 -0.954 . . . . 0.0 112.851 -160.392 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -80.58 0.08 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.152 -0.968 . . . . 0.0 109.367 -174.436 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -35.15 61.73 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -162.538 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 82.82 57.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 154.355 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -87.51 20.07 3.06 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.929 0.891 . . . . 0.0 112.736 154.549 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.87 -5.56 58.16 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.095 -1.003 . . . . 0.0 115.37 163.194 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -117.49 153.42 33.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.12 -1.224 . . . . 0.0 111.694 -169.138 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 mt -114.09 113.03 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.151 -0.968 . . . . 0.0 110.259 174.543 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -103.28 170.61 7.85 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.958 -1.089 . . . . 0.0 112.726 -160.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -27.57 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.241 -0.912 . . . . 0.0 110.193 -178.58 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.92 -38.13 46.21 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.729 ' O ' HD11 ' A' ' 30' ' ' ILE . 15.1 mt-10 -80.78 -27.36 36.71 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -177.225 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.987 HD22 HG22 ' B' ' 43' ' ' ILE . 12.0 tp -48.63 -60.67 2.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.287 -0.883 . . . . 0.0 111.929 177.771 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -24.55 60.08 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 121.141 -0.974 . . . . 0.0 115.096 174.843 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -66.24 -46.27 77.73 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.262 -1.14 . . . . 0.0 113.872 164.109 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.729 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.85 -54.38 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 177.747 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.838 HD13 ' HB2' ' A' ' 32' ' ' ARG . 3.2 pp -70.05 -33.16 71.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.142 -0.974 . . . . 0.0 111.757 175.796 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.838 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -123.68 47.98 1.94 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.149 -0.97 . . . . 0.0 110.781 -176.668 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 161.637 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' B' ' 44' ' ' GLU . 11.5 mt-10 -66.07 -19.56 65.89 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.948 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -88.57 -36.35 16.39 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.249 -0.907 . . . . 0.0 112.666 171.989 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.987 HG22 HD22 ' A' ' 27' ' ' LEU . 1.8 mp -59.52 -34.99 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.125 -0.984 . . . . 0.0 110.166 161.788 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 41' ' ' GLU . 0.3 OUTLIER -69.91 -33.44 72.18 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.54 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -62.89 -53.82 48.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.164 -0.96 . . . . 0.0 112.639 170.486 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tp -52.05 -53.29 43.88 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.111 -0.993 . . . . 0.0 113.677 174.336 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -1.69 54.6 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.706 -1.246 . . . . 0.0 112.144 -161.241 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -102.93 -18.41 15.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.176 -0.953 . . . . 0.0 110.475 164.531 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.99 -79.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.461 -1.4 . . . . 0.0 112.42 158.142 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -61.51 -20.46 63.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.146 -0.971 . . . . 0.0 112.849 -170.837 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -69.63 131.21 44.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.247 -0.908 . . . . 0.0 112.64 162.162 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -74.18 0.66 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.936 176.752 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -76.31 1.56 15.8 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.985 -1.072 . . . . 0.0 113.57 -171.212 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 m120 61.07 41.0 14.38 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.983 -1.073 . . . . 0.0 113.266 -179.224 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.67 63.9 8.22 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.259 -0.9 . . . . 0.0 112.691 154.551 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.42 -32.86 2.88 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.295 -0.878 . . . . 0.0 115.237 -162.216 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.14 123.17 28.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.205 -1.174 . . . . 0.0 113.881 -177.348 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . 0.915 HG22 ' HB2' ' B' ' 62' ' ' GLU . 68.9 mt -99.91 134.15 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.1 -1.0 . . . . 0.0 110.148 -159.686 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -104.87 -169.61 1.64 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.114 -0.992 . . . . 0.0 112.79 167.844 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.638 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 6.2 t80 -71.24 -37.67 71.99 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.877 -1.139 . . . . 0.0 112.233 -166.326 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.725 -1.235 . . . . 0.0 113.741 164.808 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.915 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.7 mm-40 -35.05 -39.04 0.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 167.714 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 63' ' ' PHE . . . . . 0.573 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 27.4 t80 -59.07 -41.59 88.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.697 -1.252 . . . . 0.0 111.996 177.463 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.774 ' CD2' HD21 ' A' ' 7' ' ' LEU . 44.9 mt -70.2 -31.91 69.58 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.928 0.891 . . . . 0.0 111.755 178.885 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -87.7 -12.32 45.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.134 -0.979 . . . . 0.0 109.362 177.294 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 66' ' ' MET . . . . . 0.746 ' CE ' HD12 ' B' ' 58' ' ' ILE . 2.1 ttp -86.89 -62.45 1.5 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 172.479 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.6 ttm -39.2 -33.36 0.13 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.232 -0.917 . . . . 0.0 110.538 161.432 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 170.077 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -96.68 37.77 1.26 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.523 -0.736 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -103.62 -108.68 0.26 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.958 0.903 . . . . 0.0 112.522 -165.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.467 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.256 0.0 OUTLIER -128.92 15.19 6.35 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.231 -0.918 . . . . 0.0 111.971 -163.359 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.632 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 3.8 tt0 -73.98 -45.29 51.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.971 -1.081 . . . . 0.0 113.848 -154.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.48 -30.91 17.94 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -176.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.79 -25.58 67.31 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.028 0.931 . . . . 0.0 111.762 159.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -64.19 -71.36 0.18 Allowed 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 166.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -44.75 -37.23 3.63 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.266 -0.896 . . . . 0.0 113.281 171.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.77 83.27 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.762 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 88.4 t80 -72.09 -29.48 64.15 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.804 0.842 . . . . 0.0 112.084 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -79.93 -35.82 37.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.172 -0.955 . . . . 0.0 112.974 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -61.84 -35.88 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 110.298 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.52 -42.55 74.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.24 -0.913 . . . . 0.0 110.427 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -71.65 135.0 46.72 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.262 -0.899 . . . . 0.0 112.805 -164.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -68.96 -76.47 0.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.936 . . . . 0.0 109.302 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -104.86 -20.87 13.44 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -170.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.59 54.26 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 157.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -73.64 -20.96 60.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.274 -0.891 . . . . 0.0 112.731 155.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.47 -5.52 5.91 Favored Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.143 -0.973 . . . . 0.0 115.401 165.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -114.24 164.85 13.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.177 -1.19 . . . . 0.0 111.704 -168.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.83 139.14 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 C-N-CA 123.902 0.881 . . . . 0.0 110.19 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -117.81 162.08 18.67 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.119 0.968 . . . . 0.0 112.684 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -25.76 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -75.35 -36.27 61.03 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.979 -1.076 . . . . 0.0 113.783 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.543 ' O ' HD13 ' A' ' 30' ' ' ILE . 88.2 mt-10 -67.85 -33.24 74.37 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 171.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.553 ' HA ' HD11 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -69.97 -45.29 67.68 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.164 -0.96 . . . . 0.0 111.833 -158.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.15 21.09 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.144 -0.972 . . . . 0.0 115.128 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.42 -30.18 70.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.304 -1.115 . . . . 0.0 113.884 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.553 HD11 ' HA ' ' A' ' 27' ' ' LEU . 4.3 mp -58.53 -54.66 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.226 -0.921 . . . . 0.0 110.237 162.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.587 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -73.72 6.96 2.76 Favored 'General case' 0 CA--C 1.574 1.882 0 O-C-N 121.146 -0.972 . . . . 0.0 111.719 -177.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -71.81 0.47 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.98 -1.075 . . . . 0.0 111.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.32 132.33 5.93 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -154.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.9 p -154.25 103.42 2.53 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 124.198 0.999 . . . . 0.0 109.782 172.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.78 -8.25 1.12 Allowed Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.27 -0.894 . . . . 0.0 115.075 160.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.419 0 O-C-N 121.176 -1.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.372 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.5 p -83.21 92.68 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.12 -179.59 7.04 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.205 -0.934 . . . . 0.0 109.715 -168.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.86 -9.56 58.82 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -164.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -68.45 -39.81 81.33 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.9 -51.4 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.243 -0.911 . . . . 0.0 112.675 166.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.07 -41.51 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.101 -0.999 . . . . 0.0 110.163 170.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -35.69 81.63 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.3 -27.44 60.71 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.039 0.936 . . . . 0.0 112.672 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -43.18 32.45 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.558 ' HE1' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -62.87 -28.08 69.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.105 -0.997 . . . . 0.0 112.102 167.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -88.4 -29.97 19.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.275 -0.891 . . . . 0.0 110.011 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -67.14 -55.86 12.41 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.133 -0.979 . . . . 0.0 112.455 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -26.82 60.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -0.964 . . . . 0.0 112.894 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.11 163.11 26.91 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.201 -0.937 . . . . 0.0 112.675 164.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.17 -60.5 0.53 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.143 -0.973 . . . . 0.0 109.86 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -71.46 -4.6 27.42 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.7 43.75 7.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.967 -1.083 . . . . 0.0 113.27 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.73 67.75 2.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.225 -0.922 . . . . 0.0 112.581 154.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.59 -6.0 0.1 OUTLIER Glycine 0 CA--C 1.572 3.618 0 N-CA-C 115.633 1.013 . . . . 0.0 115.633 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 141.31 48.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 114.008 155.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.955 HG22 ' HB2' ' B' ' 62' ' ' GLU . 63.1 mt -109.66 135.97 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 C-N-CA 123.979 0.911 . . . . 0.0 110.326 -167.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -105.18 176.24 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.903 -1.123 . . . . 0.0 112.882 165.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.574 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -63.57 -24.61 67.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.689 -1.257 . . . . 0.0 112.138 -168.383 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -83.13 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.149 0 CA-C-O 124.998 2.332 . . . . 0.0 111.3 163.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.955 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.3 mm-40 -25.23 -39.8 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 113.649 -1.614 . . . . 0.0 113.735 165.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.762 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 60.0 t80 -61.03 -49.39 77.59 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.3 -0.875 . . . . 0.0 111.808 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.97 -32.58 66.2 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.407 1.083 . . . . 0.0 111.947 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -97.72 -37.98 9.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 109.692 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.8 ttp -56.78 -28.69 61.7 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 167.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -75.93 -70.33 0.44 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.119 0.968 . . . . 0.0 110.597 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -134.52 54.03 1.96 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.17 25.32 22.79 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.195 -0.94 . . . . 0.0 115.123 158.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.88 133.1 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.296 -1.12 . . . . 0.0 108.542 158.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.35 106.46 0.45 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.205 -0.934 . . . . 0.0 111.96 -164.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.398 0 O-C-N 121.263 -0.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -77.53 138.32 39.12 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.554 -0.716 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -45.3 130.24 8.17 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.309 -0.869 . . . . 0.0 112.438 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.254 0.6 OUTLIER -91.63 6.85 44.19 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.265 -0.897 . . . . 0.0 112.39 164.534 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -45.14 75.03 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.396 -1.44 . . . . 0.0 113.845 -162.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.23 -47.65 27.13 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -27.92 68.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -0.883 . . . . 0.0 111.765 169.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -63.04 -63.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 171.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -39.25 -64.67 0.44 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.195 -0.941 . . . . 0.0 113.296 161.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.65 38.64 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.737 ' HE1' HG13 ' A' ' 22' ' ' ILE . 13.5 t80 -75.2 -39.49 60.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.236 -0.915 . . . . 0.0 112.105 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -76.46 -31.22 57.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.212 -0.93 . . . . 0.0 112.944 173.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mm -65.41 -41.38 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 123.998 0.919 . . . . 0.0 110.319 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -61.09 -61.52 2.51 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.37 90.23 0.15 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.252 -0.905 . . . . 0.0 112.779 174.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -26.97 68.4 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.142 -0.974 . . . . 0.0 109.202 -161.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.24 -46.5 10.29 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 79.04 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 157.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -23.86 30.11 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.239 -0.913 . . . . 0.0 112.769 159.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.81 -23.26 1.3 Allowed Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.0 -1.062 . . . . 0.0 115.413 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -117.15 155.36 29.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.985 -1.303 . . . . 0.0 111.672 -154.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.737 HG13 ' HE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -104.77 153.47 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.049 -1.032 . . . . 0.0 110.236 158.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -115.09 167.78 10.52 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.198 -0.939 . . . . 0.0 112.651 172.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -26.45 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.205 -0.935 . . . . 0.0 110.279 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -72.29 -33.22 67.26 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.989 -1.07 . . . . 0.0 113.74 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.37 -28.75 41.94 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' HD22 ' A' ' 31' ' ' LEU . 6.5 tt -66.31 -44.29 83.82 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.162 -0.961 . . . . 0.0 111.873 -165.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.66 -39.21 30.06 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.098 -1.001 . . . . 0.0 115.08 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -64.24 -40.54 96.23 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.237 -1.155 . . . . 0.0 113.905 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mm -53.93 -66.74 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.22 -0.925 . . . . 0.0 110.235 165.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.417 HD22 ' O ' ' A' ' 27' ' ' LEU . 3.8 pp -68.18 -17.61 64.38 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.109 -0.995 . . . . 0.0 111.717 -164.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.773 ' HG3' HG22 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -104.44 -26.13 12.53 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.189 -0.944 . . . . 0.0 110.816 -175.138 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.61 131.68 39.02 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -142.51 -56.26 0.44 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.092 0.957 . . . . 0.0 109.811 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -123.61 -84.21 0.64 Allowed Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.179 -0.951 . . . . 0.0 115.147 -163.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.399 0 O-C-N 121.241 -1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.355 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.773 HG22 ' HG3' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -152.44 128.67 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.9 p -134.12 174.92 9.97 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.155 -0.966 . . . . 0.0 109.757 167.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -34.69 75.48 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 175.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -61.59 -32.06 72.15 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -75.61 -47.36 26.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.28 -0.888 . . . . 0.0 112.704 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -42.91 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.975 -1.078 . . . . 0.0 110.114 169.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.3 75.69 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.72 -51.52 69.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.277 -0.89 . . . . 0.0 112.684 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.47 -53.72 27.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.076 -1.015 . . . . 0.0 113.662 172.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.862 ' HE3' HG13 ' B' ' 58' ' ' ILE . 2.0 tpp -65.64 -53.77 36.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.795 -1.19 . . . . 0.0 112.057 -172.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.408 ' HA ' ' HB2' ' B' ' 51' ' ' ASP . 0.0 OUTLIER -59.23 -33.83 71.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.228 -0.92 . . . . 0.0 110.037 179.499 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -67.37 -33.31 74.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.516 -0.74 . . . . 0.0 112.449 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.61 20.62 17.62 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.259 -0.901 . . . . 0.0 112.895 168.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' B' ' 48' ' ' LYS . 7.0 t70 -82.73 115.48 21.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.139 -0.976 . . . . 0.0 112.669 172.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -59.83 -141.77 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.113 -0.992 . . . . 0.0 109.93 156.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -71.29 -56.43 6.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.236 -0.915 . . . . 0.0 113.219 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 68.31 122.38 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 167.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.58 43.82 1.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.127 -0.983 . . . . 0.0 112.578 154.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.03 53.56 Favored Glycine 0 CA--C 1.572 3.615 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 157.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -144.98 153.31 41.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.129 -1.218 . . . . 0.0 114.083 -156.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.973 HG22 ' HB2' ' B' ' 62' ' ' GLU . 46.0 mt -109.82 137.44 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 C-N-CA 123.903 0.881 . . . . 0.0 110.3 -165.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -112.24 178.28 4.36 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.952 -1.092 . . . . 0.0 112.833 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.415 ' CD1' ' CD2' ' A' ' 11' ' ' PHE . 2.0 t80 -57.33 -34.4 68.71 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.115 -0.991 . . . . 0.0 112.017 -166.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -84.31 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.963 2.315 . . . . 0.0 111.436 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.973 ' HB2' HG22 ' B' ' 58' ' ' ILE . 4.5 mt-10 -25.03 -36.17 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.65 1.58 . . . . 0.0 113.875 167.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.666 ' HD2' ' CD1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -61.32 -57.96 10.2 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.236 -0.915 . . . . 0.0 111.889 173.14 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.67 -20.38 21.21 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.065 0.946 . . . . 0.0 111.796 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -55.78 4.14 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.18 -0.95 . . . . 0.0 109.497 171.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.515 ' HE1' ' HA ' ' B' ' 63' ' ' PHE . 1.2 ttm -45.23 -39.52 6.45 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 mmt -75.49 -98.39 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 110.589 162.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -75.51 2.3 11.98 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -163.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.05 111.45 2.25 Favored Glycine 0 CA--C 1.571 3.577 0 O-C-N 120.987 -1.071 . . . . 0.0 115.106 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -70.35 138.94 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.234 -1.157 . . . . 0.0 108.504 169.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -88.16 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.228 -0.92 . . . . 0.0 111.924 168.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.418 0 O-C-N 121.217 -0.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.354 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -68.04 126.82 30.71 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.804 0.842 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.451 ' HB2' ' H ' ' A' ' 4' ' ' GLU . 2.7 p -164.65 -148.98 0.12 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.286 -0.884 . . . . 0.0 112.359 161.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.451 ' H ' ' HB2' ' A' ' 3' ' ' SER 0.256 2.2 pt-20 -62.52 -7.25 4.3 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.218 -0.926 . . . . 0.0 112.418 165.221 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.653 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 4.7 tt0 -37.13 -54.33 1.0 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -176.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.93 -35.35 13.37 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -162.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.552 HD21 ' CD2' ' B' ' 64' ' ' LEU . 5.2 mp -66.78 -13.32 61.34 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.042 0.937 . . . . 0.0 111.789 157.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -79.56 -54.88 5.46 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 166.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -48.24 -46.97 36.17 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.318 -0.864 . . . . 0.0 113.247 164.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -64.35 -46.26 84.22 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.65 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 1.4 t80 -67.58 -35.53 79.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.0 112.169 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 -65.75 -36.71 84.33 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.16 -0.962 . . . . 0.0 112.919 167.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.37 -32.1 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.451 1.1 . . . . 0.0 110.23 -169.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.808 ' CE2' HG22 ' A' ' 30' ' ' ILE . 54.1 m-85 -60.67 -78.27 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 162.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.06 149.36 27.92 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.1 0.96 . . . . 0.0 112.816 -162.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.532 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 7.2 mmtp -64.92 -40.68 95.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.1 -1.0 . . . . 0.0 109.226 -165.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 2.0 t-20 -119.92 -37.16 3.14 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -162.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 80.61 45.51 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.58 -11.46 59.87 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.938 0.895 . . . . 0.0 112.947 159.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' ' HD1' ' A' ' 21' ' ' TYR . . . 100.36 25.02 9.04 Favored Glycine 0 CA--C 1.571 3.581 0 O-C-N 120.872 -1.142 . . . . 0.0 115.297 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' HD1' ' O ' ' A' ' 20' ' ' GLY . 11.5 m-30 -119.82 167.05 12.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.213 -1.169 . . . . 0.0 111.674 163.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 mt -126.13 146.72 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 110.219 161.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -119.45 169.05 10.38 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.096 -1.002 . . . . 0.0 112.697 -174.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -38.12 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.226 -0.921 . . . . 0.0 110.23 -177.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.02 -36.51 72.43 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.798 ' O ' HD11 ' A' ' 30' ' ' ILE . 80.0 mt-10 -80.87 -20.71 41.67 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.9 -55.94 21.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.904 . . . . 0.0 111.831 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -20.35 -64.4 0.01 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.179 -0.95 . . . . 0.0 115.224 156.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.53 -33.06 74.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.305 -1.114 . . . . 0.0 113.9 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.808 HG22 ' CE2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -57.23 -49.55 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.143 -0.973 . . . . 0.0 110.202 168.157 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.78 -34.97 5.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.314 -0.866 . . . . 0.0 111.358 168.002 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -52.33 8.78 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.34 -0.85 . . . . 0.0 110.794 -171.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.5 131.26 40.4 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.605 HG21 ' N ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -135.02 -63.18 0.7 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.264 -0.898 . . . . 0.0 109.887 -167.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.605 ' N ' HG21 ' A' ' 34' ' ' THR . . . 145.19 -167.34 27.38 Favored Glycine 0 CA--C 1.571 3.569 0 O-C-N 121.203 -0.936 . . . . 0.0 115.125 -157.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.401 0 O-C-N 121.223 -1.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.344 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 51.0 t -128.45 84.56 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.624 ' O ' HD11 ' B' ' 43' ' ' ILE . 0.3 OUTLIER -151.53 166.06 32.33 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.157 -0.964 . . . . 0.0 109.72 -174.264 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -20.8 65.0 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 174.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.44 -33.96 76.87 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.88 -30.36 40.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.229 -0.919 . . . . 0.0 112.658 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.624 HD11 ' O ' ' B' ' 39' ' ' THR . 1.9 mp -58.95 -43.92 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.216 -0.927 . . . . 0.0 110.149 165.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -46.52 72.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.472 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -62.51 -37.83 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.475 -0.766 . . . . 0.0 112.655 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.3 -45.43 84.39 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.97 6.3 42.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -0.982 . . . . 0.0 112.254 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -94.47 -36.28 11.94 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.075 0.95 . . . . 0.0 110.029 155.326 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.5 -71.15 0.22 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 0.0 112.472 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.1 m -74.58 16.6 0.26 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.232 -0.917 . . . . 0.0 113.0 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.33 130.55 39.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.183 -0.948 . . . . 0.0 112.715 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.99 -128.78 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.121 -0.987 . . . . 0.0 109.809 154.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -70.36 -44.56 67.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.919 -1.113 . . . . 0.0 113.329 167.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m120 46.12 95.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.085 -1.01 . . . . 0.0 113.34 -155.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.59 -31.85 71.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.155 -0.965 . . . . 0.0 112.678 162.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.48 -56.37 0.02 OUTLIER Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.215 -0.928 . . . . 0.0 115.18 161.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -125.97 -175.62 3.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.298 -1.119 . . . . 0.0 113.916 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.97 HG22 ' HB2' ' B' ' 62' ' ' GLU . 21.8 mt -108.34 144.6 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 C-N-CA 123.85 0.86 . . . . 0.0 110.262 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -117.07 -168.88 1.55 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.239 1.016 . . . . 0.0 112.773 163.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.537 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -65.49 -30.59 71.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.089 -1.007 . . . . 0.0 112.098 -173.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.45 -83.35 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.939 2.304 . . . . 0.0 111.417 165.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.97 ' HB2' HG22 ' B' ' 58' ' ' ILE . 6.3 mm-40 -24.62 -39.76 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.65 -1.614 . . . . 0.0 113.635 165.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.65 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 59.8 t80 -62.34 -49.65 74.76 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.412 -0.805 . . . . 0.0 112.069 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.552 ' CD2' HD21 ' A' ' 7' ' ' LEU . 30.9 mt -58.12 -41.74 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.288 1.035 . . . . 0.0 111.782 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.6 -29.55 51.97 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.016 -1.053 . . . . 0.0 109.362 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -83.35 -48.45 10.38 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -19.46 64.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.164 -0.96 . . . . 0.0 110.465 172.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.48 -58.42 3.52 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 162.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.6 -147.24 11.19 Favored Glycine 0 CA--C 1.571 3.574 0 O-C-N 121.086 -1.008 . . . . 0.0 115.093 157.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.18 148.87 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.228 -1.16 . . . . 0.0 108.495 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.85 99.87 7.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.187 -0.946 . . . . 0.0 111.859 -159.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.387 0 O-C-N 121.235 -0.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -89.39 44.08 1.19 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.501 -0.749 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -96.13 84.51 3.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.226 -0.921 . . . . 0.0 112.386 -164.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 4.6 pt-20 -126.43 12.35 7.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.177 -0.952 . . . . 0.0 112.417 175.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -48.41 60.88 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -167.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.96 -34.58 57.58 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -31.21 69.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.244 -0.91 . . . . 0.0 111.714 167.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' HE2' ' B' ' 60' ' ' PHE . . . -81.46 -43.5 18.78 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -45.4 -52.71 9.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.213 -0.93 . . . . 0.0 113.196 160.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.15 80.23 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 86.6 t80 -76.0 -28.18 57.69 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.878 0.871 . . . . 0.0 111.969 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -79.35 -43.68 23.04 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.295 1.038 . . . . 0.0 112.996 165.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.89 -30.26 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.455 1.102 . . . . 0.0 110.234 -164.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' CE2' HG23 ' A' ' 30' ' ' ILE . 7.7 m-30 -56.03 -59.19 5.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.244 -0.91 . . . . 0.0 110.422 158.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -80.41 140.7 35.88 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.185 -0.947 . . . . 0.0 112.824 -160.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.95 7.37 11.45 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.079 -1.013 . . . . 0.0 109.996 -163.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.445 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 7.2 m-20 179.81 83.98 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.192 -1.567 . . . . 0.0 114.536 -153.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 67.08 76.19 0.29 Allowed 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -153.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -55.08 -15.18 1.95 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 123.843 0.857 . . . . 0.0 112.894 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.86 -61.76 6.99 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 120.855 -1.153 . . . . 0.0 115.142 169.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -116.17 153.55 31.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.291 -1.123 . . . . 0.0 111.716 -172.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 mt -108.52 144.69 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.152 -0.968 . . . . 0.0 110.236 167.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -115.15 163.11 16.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.196 -0.94 . . . . 0.0 112.721 -174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.623 HD11 ' HG2' ' B' ' 47' ' ' MET . 1.1 tt -62.95 -31.11 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 110.181 -175.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.65 -30.57 41.3 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.38 -30.53 37.87 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 1.04 HD22 HD12 ' A' ' 31' ' ' LEU . 9.8 tt -46.5 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.218 -0.926 . . . . 0.0 111.942 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.66 ' HA2' HD13 ' A' ' 31' ' ' LEU . . . -43.1 -41.07 4.61 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.155 -0.966 . . . . 0.0 115.106 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 16.1 mt-10 -72.98 -31.18 64.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.226 -1.161 . . . . 0.0 113.883 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.526 HG23 ' CE2' ' A' ' 14' ' ' PHE . 12.8 mm -54.49 -68.39 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.211 -0.931 . . . . 0.0 110.23 159.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 1.04 HD12 HD22 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -62.08 -25.11 67.51 Favored 'General case' 0 CA--C 1.574 1.881 0 O-C-N 121.113 -0.992 . . . . 0.0 111.379 -162.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.14 -40.88 3.05 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.295 -0.878 . . . . 0.0 110.803 -170.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -99.74 130.24 45.93 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -156.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 t -85.41 144.45 28.0 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.224 -0.922 . . . . 0.0 109.702 170.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.21 17.67 0.07 OUTLIER Glycine 0 CA--C 1.572 3.63 0 O-C-N 121.234 -0.917 . . . . 0.0 115.057 163.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.408 0 O-C-N 121.246 -1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . 0.516 ' C ' HG21 ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.235 0.321 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.516 HG21 ' C ' ' B' ' 37' ' ' ACE . 1.5 t 79.77 91.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 18.4 p -146.58 153.08 39.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.158 -0.964 . . . . 0.0 109.756 165.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.51 -15.57 62.81 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -39.18 85.12 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 172.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.23 -47.14 82.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 170.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mm -56.29 -50.63 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.094 -1.004 . . . . 0.0 110.21 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -38.17 87.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.141 -0.974 . . . . 0.0 113.617 -173.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -76.83 -25.68 53.47 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.145 0.978 . . . . 0.0 112.714 174.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.97 -45.68 73.51 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.623 ' HG2' HD11 ' A' ' 24' ' ' ILE . 1.6 ttt -91.28 15.52 11.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.077 -1.015 . . . . 0.0 112.117 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.91 -37.11 5.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 160.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.43 -45.14 76.94 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.589 -0.694 . . . . 0.0 112.432 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.1 p -77.19 -25.62 52.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 112.867 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.99 141.31 33.38 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.17 -0.956 . . . . 0.0 112.724 -154.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -166.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.224 -0.922 . . . . 0.0 109.89 157.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -72.51 -54.02 10.4 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.178 -0.951 . . . . 0.0 113.138 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 m120 71.88 127.5 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 158.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -65.7 -22.3 66.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.151 -0.968 . . . . 0.0 112.685 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -9.97 0.07 OUTLIER Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.182 -0.949 . . . . 0.0 115.429 156.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -136.41 163.67 29.93 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.119 -1.224 . . . . 0.0 113.815 -160.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 1.008 HG22 ' HB2' ' B' ' 62' ' ' GLU . 61.1 mt -102.95 155.9 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 124.065 0.946 . . . . 0.0 110.197 -173.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -133.75 177.2 7.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.053 -1.029 . . . . 0.0 112.843 166.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.674 ' HE2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -54.36 -30.03 50.38 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.03 -1.044 . . . . 0.0 111.977 -163.028 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.89 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 124.931 2.3 . . . . 0.0 111.484 168.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 1.008 ' HB2' HG22 ' B' ' 58' ' ' ILE . 37.9 mt-10 -28.57 -33.17 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.998 166.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.513 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 2.2 t80 -63.24 -52.21 63.07 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.744 -1.223 . . . . 0.0 111.834 173.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.28 -26.87 63.49 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.478 1.111 . . . . 0.0 111.831 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.627 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -96.78 -19.03 19.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.214 -0.929 . . . . 0.0 109.549 -179.416 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 24.3 ttp -78.91 -49.28 13.09 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.3 tpt -57.07 -62.6 1.64 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.268 -0.895 . . . . 0.0 110.52 162.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -116.86 9.51 13.87 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.554 1.141 . . . . 0.0 114.068 -157.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.57 173.84 27.57 Favored Glycine 0 CA--C 1.571 3.574 0 O-C-N 120.805 -1.184 . . . . 0.0 115.071 160.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.11 140.46 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.159 -1.2 . . . . 0.0 108.538 -162.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -50.61 121.62 6.05 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.117 -0.989 . . . . 0.0 111.909 -166.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.394 0 O-C-N 121.093 -1.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.36 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -154.66 83.79 1.1 Allowed 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 123.948 0.899 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.14 58.86 1.13 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.24 -0.913 . . . . 0.0 112.379 -173.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER -90.89 29.78 1.3 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.113 -0.992 . . . . 0.0 111.918 174.253 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -38.62 72.95 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -166.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -18.06 15.54 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.682 HD21 ' HE3' ' B' ' 67' ' ' MET . 6.3 mt -69.33 -23.43 63.78 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.258 -0.901 . . . . 0.0 111.747 157.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.59 -52.8 10.79 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -50.37 -43.11 54.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.297 -0.877 . . . . 0.0 113.288 162.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -68.33 -31.52 71.0 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.77 ' HA ' ' HE2' ' B' ' 63' ' ' PHE . 0.6 OUTLIER -75.83 -40.46 54.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.311 -0.868 . . . . 0.0 112.088 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -51.6 -43.7 62.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.211 -0.931 . . . . 0.0 112.898 161.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.83 -34.01 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 C-N-CA 124.32 1.048 . . . . 0.0 110.216 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 30' ' ' ILE . 3.3 m-85 -55.92 -43.75 77.63 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.205 -0.934 . . . . 0.0 110.351 163.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.38 167.46 18.11 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.166 -0.959 . . . . 0.0 112.766 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.18 -53.76 0.85 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.113 -0.992 . . . . 0.0 109.192 170.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -94.52 -21.32 18.95 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -167.045 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 77.0 54.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 165.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -75.81 -19.83 58.65 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.032 0.933 . . . . 0.0 112.712 160.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.46 -15.98 49.14 Favored Glycine 0 CA--C 1.571 3.583 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -165.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -115.06 158.32 22.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.03 -1.277 . . . . 0.0 111.736 -163.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.489 HG13 ' CE1' ' A' ' 11' ' ' PHE . 2.8 mt -108.51 123.67 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 C-N-CA 124.168 0.987 . . . . 0.0 110.299 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -106.25 175.85 5.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.6 -29.78 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.277 -0.889 . . . . 0.0 110.222 179.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.72 -34.99 58.09 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -72.51 -36.62 68.4 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.94 HD22 HD22 ' A' ' 31' ' ' LEU . 5.9 tt -79.2 -45.02 20.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.863 -155.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.05 -36.98 92.02 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.15 -0.969 . . . . 0.0 115.105 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -34.49 54.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.256 -1.144 . . . . 0.0 113.88 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 14' ' ' PHE . 4.4 mm -48.46 -70.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.151 -0.968 . . . . 0.0 110.184 156.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 1.008 HD23 HG12 ' B' ' 43' ' ' ILE . 3.6 pp -68.21 -8.98 43.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.192 -0.943 . . . . 0.0 111.696 -163.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -85.87 -49.92 7.51 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.174 -0.954 . . . . 0.0 110.871 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 -175.54 0.73 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -161.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -40.9 -83.06 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.262 -0.899 . . . . 0.0 109.824 169.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.68 16.4 75.56 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.243 -0.91 . . . . 0.0 115.086 -169.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 O-C-N 121.265 -1.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.307 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.474 HG12 HD11 ' A' ' 31' ' ' LEU . 4.4 t 65.48 89.61 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -73.29 160.98 31.04 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.231 -0.918 . . . . 0.0 109.791 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.668 ' HA ' HD11 ' B' ' 43' ' ' ILE . 0.9 OUTLIER -70.01 -23.1 63.08 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -168.224 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -26.94 66.77 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.67 -37.38 70.78 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.305 -0.872 . . . . 0.0 112.692 168.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 1.008 HG12 HD23 ' A' ' 31' ' ' LEU . 5.7 mt -57.25 -56.05 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.123 -0.985 . . . . 0.0 110.153 172.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.27 86.35 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.25 -42.52 88.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 112.663 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.6 tp -71.72 -44.26 64.45 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.688 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.5 ttm -73.01 -13.81 61.3 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.194 -0.941 . . . . 0.0 112.02 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -34.49 23.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.221 -0.925 . . . . 0.0 109.92 163.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.32 -34.6 77.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.487 -0.758 . . . . 0.0 112.464 -176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -82.19 -49.57 9.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.331 -0.855 . . . . 0.0 112.84 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.23 147.88 44.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.193 -0.942 . . . . 0.0 112.685 -164.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -112.39 0.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.214 -0.928 . . . . 0.0 109.912 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -71.33 5.48 2.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.536 -1.352 . . . . 0.0 113.418 -161.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 70.62 76.22 0.19 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.919 -1.113 . . . . 0.0 113.246 161.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -95.6 -29.26 14.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.159 -0.963 . . . . 0.0 112.703 157.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.42 35.57 5.17 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.256 -0.903 . . . . 0.0 115.159 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -159.05 131.95 7.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.085 -1.244 . . . . 0.0 114.044 -170.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.849 HG22 ' HB2' ' B' ' 62' ' ' GLU . 79.8 mt -111.86 146.84 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.209 -0.932 . . . . 0.0 110.411 -165.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -107.14 -168.01 1.34 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 112.787 170.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.632 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -68.01 -34.19 76.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.112 -0.993 . . . . 0.0 112.012 177.145 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.83 -83.18 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.123 0 CA-C-O 124.753 2.216 . . . . 0.0 111.69 170.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.849 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.4 mm-40 -24.23 -42.35 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.761 0 CA-C-N 113.84 -1.527 . . . . 0.0 113.615 164.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.77 ' HE2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -62.31 -46.5 88.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.428 -0.795 . . . . 0.0 111.939 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.51 -40.87 96.18 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 125.018 1.327 . . . . 0.0 111.763 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -45.93 32.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.124 -0.985 . . . . 0.0 109.334 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 4.7 ttm -46.37 -58.34 3.81 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.682 ' HE3' HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -91.96 -11.61 35.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.122 -0.986 . . . . 0.0 110.485 -163.003 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -73.15 0.25 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 154.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.69 -28.76 12.27 Favored Glycine 0 CA--C 1.571 3.583 0 O-C-N 121.154 -0.966 . . . . 0.0 115.117 176.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.33 151.04 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.255 -1.144 . . . . 0.0 108.559 -168.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -137.94 104.59 5.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.171 -0.955 . . . . 0.0 111.977 163.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.399 0 O-C-N 121.282 -0.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.364 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -154.72 101.92 2.34 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.498 -0.751 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.21 32.46 1.0 Allowed 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 123.983 0.913 . . . . 0.0 112.344 159.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.452 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.257 2.0 tt0 -70.02 -20.36 63.27 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.258 -0.901 . . . . 0.0 111.847 172.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.75 -32.18 65.46 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -30.92 16.17 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.904 HD11 HD22 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -77.17 -19.17 57.16 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.142 0.977 . . . . 0.0 111.736 162.333 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 4' ' ' GLU . . . -65.04 -64.07 0.95 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 166.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -47.41 -38.31 13.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.317 -0.864 . . . . 0.0 113.31 166.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -69.31 -39.81 78.05 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 176.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.78 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 64.3 t80 -74.63 -30.33 61.6 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.957 0.903 . . . . 0.0 112.076 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -46.51 58.69 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.343 1.057 . . . . 0.0 112.907 167.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -75.55 -31.62 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 C-N-CA 124.418 1.087 . . . . 0.0 110.236 -166.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -59.14 -49.56 77.41 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.258 -0.901 . . . . 0.0 110.435 162.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.67 132.64 53.0 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.214 -0.928 . . . . 0.0 112.759 -170.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -100.8 -36.58 9.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.133 -0.98 . . . . 0.0 109.291 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.25 -29.6 13.1 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -162.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.66 63.45 0.07 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 167.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.97 8.71 26.45 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.566 1.146 . . . . 0.0 112.628 155.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.31 25.73 72.5 Favored Glycine 0 CA--C 1.572 3.637 0 O-C-N 121.294 -0.879 . . . . 0.0 115.079 -165.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -118.21 166.3 12.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.332 -1.099 . . . . 0.0 111.68 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -128.45 125.19 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.075 -1.015 . . . . 0.0 110.241 161.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -101.27 171.83 7.36 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.111 -0.993 . . . . 0.0 112.775 -176.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -29.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.313 -0.867 . . . . 0.0 110.313 174.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -70.13 -29.91 66.95 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.52 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 94.2 mt-10 -76.7 -26.35 54.62 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.863 HD11 HG23 ' B' ' 43' ' ' ILE . 2.0 tm? -69.76 -40.64 75.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.21 -0.931 . . . . 0.0 111.784 -159.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.25 82.99 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.178 -0.951 . . . . 0.0 115.059 167.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.731 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 2.5 mm-40 -78.36 -32.33 48.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.241 -1.152 . . . . 0.0 113.87 163.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.878 HG21 HD22 ' A' ' 31' ' ' LEU . 61.0 mt -58.6 -72.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.233 -0.917 . . . . 0.0 110.25 166.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.878 HD22 HG21 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.51 -36.67 81.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -174.108 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.07 10.29 8.14 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.326 -0.859 . . . . 0.0 110.768 -155.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -112.73 -176.02 2.81 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 161.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.7 p -74.39 -48.23 29.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.22 -0.925 . . . . 0.0 109.712 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.17 -80.29 0.23 Allowed Glycine 0 CA--C 1.571 3.542 0 O-C-N 121.211 -0.93 . . . . 0.0 115.153 164.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.444 0 O-C-N 121.144 -1.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.31 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.26 74.13 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.7 p -99.84 171.94 7.56 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.237 -0.915 . . . . 0.0 109.795 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.59 -43.55 89.37 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -164.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.61 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -67.4 -45.68 75.47 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.245 -0.909 . . . . 0.0 112.724 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.863 HG23 HD11 ' A' ' 27' ' ' LEU . 10.0 mt -58.8 -35.06 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 172.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -35.91 68.4 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -72.63 -34.44 67.31 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.001 0.92 . . . . 0.0 112.688 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.36 -44.61 96.88 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 160.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.49 -38.87 88.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.137 -0.977 . . . . 0.0 112.074 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -30.79 62.92 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 124.015 0.926 . . . . 0.0 110.18 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -66.94 -39.68 87.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.42 -0.8 . . . . 0.0 112.441 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.1 m -60.52 -33.13 72.2 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.157 -0.965 . . . . 0.0 112.724 166.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.93 148.19 38.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.16 -0.963 . . . . 0.0 112.628 -174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -53.34 0.76 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.14 -0.975 . . . . 0.0 110.129 157.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -75.02 10.67 1.37 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.55 30.92 20.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.912 -1.117 . . . . 0.0 113.266 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.33 74.74 6.95 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.261 -0.899 . . . . 0.0 112.69 155.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.91 -22.22 0.28 Allowed Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.132 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -92.0 138.81 31.23 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.19 -1.182 . . . . 0.0 113.851 168.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.864 HG22 ' HB2' ' B' ' 62' ' ' GLU . 58.4 mt -108.76 141.59 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.073 -1.017 . . . . 0.0 110.195 -159.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -115.81 177.35 4.71 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.238 1.015 . . . . 0.0 112.836 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -41.94 74.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 -168.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.864 ' HB2' HG22 ' B' ' 58' ' ' ILE . 6.0 mm-40 -28.09 -48.08 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 165.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.78 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 5.5 t80 -59.43 -39.1 82.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.431 -0.793 . . . . 0.0 112.223 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.904 HD22 HD11 ' A' ' 7' ' ' LEU . 7.1 mt -70.87 -21.47 62.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.313 -0.867 . . . . 0.0 111.777 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -85.27 -42.32 14.75 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.291 -0.881 . . . . 0.0 109.314 173.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.8 ttp -56.9 -20.37 22.91 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 8.9 mmt -98.18 -65.31 0.97 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.241 -0.912 . . . . 0.0 110.545 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -130.82 39.95 3.54 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.01 -86.43 0.24 Allowed Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.28 -0.888 . . . . 0.0 115.084 156.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.2 134.4 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.272 -1.134 . . . . 0.0 108.524 -161.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.01 3.58 54.34 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.221 -0.924 . . . . 0.0 112.158 -174.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.063 -1.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.352 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.23 143.92 44.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.484 -0.76 . . . . 0.0 110.024 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.07 22.31 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.223 -0.923 . . . . 0.0 112.404 -168.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.1 OUTLIER -139.79 -32.28 0.63 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.272 -0.893 . . . . 0.0 111.822 -166.388 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -58.48 -32.98 69.28 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -85.63 -57.4 3.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.786 HD12 ' HE2' ' B' ' 67' ' ' MET . 0.1 OUTLIER -52.14 -24.66 7.36 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 111.699 168.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.62 -62.26 1.51 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -47.26 -30.25 2.94 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.263 -0.898 . . . . 0.0 113.206 164.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.83 -31.44 45.8 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.66 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 76.5 t80 -74.21 -30.31 62.13 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 112.086 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -53.0 40.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.233 -0.917 . . . . 0.0 112.933 165.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.36 -31.57 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 C-N-CA 124.205 1.002 . . . . 0.0 110.309 -166.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.552 ' HA ' HD12 ' A' ' 30' ' ' ILE . 4.2 m-30 -45.37 -72.95 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.254 -0.904 . . . . 0.0 110.397 162.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.71 145.04 55.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.189 -0.945 . . . . 0.0 112.803 -154.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HD3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -62.99 -33.42 75.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.189 -0.944 . . . . 0.0 109.233 -166.074 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.55 -39.41 0.65 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -166.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 80.11 67.07 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 158.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.73 -17.63 64.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.902 . . . . 0.0 112.786 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 106.37 17.55 12.32 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 120.986 -1.071 . . . . 0.0 115.301 -169.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.6 m-30 -117.6 166.05 12.85 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.253 -1.145 . . . . 0.0 111.625 168.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.912 HG22 ' CD ' ' A' ' 26' ' ' GLU . 96.1 mt -119.58 127.82 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.022 -1.049 . . . . 0.0 110.198 165.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.36 165.51 11.45 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.054 -1.029 . . . . 0.0 112.66 -172.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -2.43 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.217 -0.927 . . . . 0.0 110.493 172.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.93 -40.81 23.96 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.511 -1.368 . . . . 0.0 113.613 164.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.912 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.91 -46.92 27.5 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -172.022 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.995 HD23 HD11 ' B' ' 43' ' ' ILE . 7.1 tt -40.27 -54.78 2.31 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 125.232 1.413 . . . . 0.0 112.059 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.86 -29.21 72.58 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 121.072 -1.017 . . . . 0.0 115.098 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.469 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 2.7 tp10 -59.89 -45.23 93.17 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.198 -1.178 . . . . 0.0 113.907 165.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.552 HD12 ' HA ' ' A' ' 14' ' ' PHE . 20.5 mm -58.25 -59.38 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.226 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 1.042 HD13 HD13 ' B' ' 43' ' ' ILE . 0.4 OUTLIER -65.13 -37.37 87.21 Favored 'General case' 0 CA--C 1.575 1.907 0 O-C-N 121.023 -1.048 . . . . 0.0 111.428 -172.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -33.87 20.6 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.335 -0.853 . . . . 0.0 110.806 -171.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.14 134.5 10.81 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 166.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 p -78.77 -14.43 59.28 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.176 -0.953 . . . . 0.0 109.725 166.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.54 -92.78 2.17 Favored Glycine 0 CA--C 1.572 3.617 0 O-C-N 121.208 -0.933 . . . . 0.0 115.085 166.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.44 0 O-C-N 121.207 -1.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.356 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.53 107.68 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.2 p -130.12 -161.21 1.1 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.182 -0.949 . . . . 0.0 109.768 156.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.34 -31.87 73.14 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -173.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.61 -46.08 77.08 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -65.4 -36.41 83.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.227 -0.921 . . . . 0.0 112.702 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 1.042 HD13 HD13 ' A' ' 31' ' ' LEU . 2.4 mm -56.99 -48.68 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.988 . . . . 0.0 110.081 170.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -34.83 77.12 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.14 -45.83 89.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.31 -0.869 . . . . 0.0 112.663 168.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.45 -47.22 50.65 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.594 ' HE1' HD13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -92.92 29.37 1.84 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.984 -1.072 . . . . 0.0 112.108 178.048 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.428 ' HA ' ' HB3' ' B' ' 51' ' ' ASP . 2.7 ptmt -126.09 -35.62 2.43 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.166 0.987 . . . . 0.0 109.991 156.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.4 -41.64 84.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.361 -0.837 . . . . 0.0 112.439 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 56.6 m -71.79 -39.51 69.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 112.909 162.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.428 ' HB3' ' HA ' ' B' ' 48' ' ' LYS . 26.4 t70 -82.49 3.29 28.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.188 -0.945 . . . . 0.0 112.717 -168.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -27.43 9.45 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.194 -0.941 . . . . 0.0 110.052 -169.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.04 17.38 0.34 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.193 -0.942 . . . . 0.0 113.229 -165.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.4 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.776 0.83 . . . . 0.0 112.758 171.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 1.11 58.57 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.605 1.162 . . . . 0.0 112.509 -153.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.61 48.79 3.1 Favored Glycine 0 CA--C 1.572 3.641 0 C-N-CA 124.399 1.0 . . . . 0.0 114.885 169.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -9.39 140.78 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 154.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 1.003 HG22 ' HB2' ' B' ' 62' ' ' GLU . 63.3 mt -92.97 134.24 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 C-N-CA 124.65 1.18 . . . . 0.0 110.316 -155.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -110.38 -179.76 3.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.013 -1.054 . . . . 0.0 112.862 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.76 -39.91 59.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.938 -1.101 . . . . 0.0 112.052 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.93 -84.14 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 125.031 2.348 . . . . 0.0 111.531 170.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 1.003 ' HB2' HG22 ' B' ' 58' ' ' ILE . 4.7 mt-10 -25.0 -35.86 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.718 0 C-N-CA 125.674 1.589 . . . . 0.0 113.828 167.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.66 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 3.7 t80 -61.73 -60.05 4.24 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.143 -0.973 . . . . 0.0 111.794 173.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.484 HD22 HD11 ' A' ' 7' ' ' LEU . 38.4 mt -51.75 -27.41 11.98 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.21 1.004 . . . . 0.0 111.803 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.36 -45.03 9.28 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.082 -1.011 . . . . 0.0 109.482 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.07 -24.12 6.32 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.786 ' HE2' HD12 ' A' ' 7' ' ' LEU . 5.8 ttm -91.33 -57.33 2.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.206 -0.934 . . . . 0.0 110.561 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.58 -36.09 79.66 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.45 -176.58 27.4 Favored Glycine 0 CA--C 1.572 3.635 0 O-C-N 121.197 -0.939 . . . . 0.0 115.074 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -121.98 99.35 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.28 -1.129 . . . . 0.0 108.47 158.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.31 145.71 41.56 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.208 -0.932 . . . . 0.0 111.96 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.425 0 O-C-N 121.233 -0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.346 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -32.74 122.5 0.36 Allowed 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.588 0.755 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -105.01 15.24 28.01 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.294 -0.879 . . . . 0.0 112.357 -158.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.587 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.257 0.0 OUTLIER -115.44 -22.72 9.17 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.308 -0.87 . . . . 0.0 111.82 -167.479 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.678 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 47.9 tt0 -61.32 -45.6 93.76 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 164.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -76.7 -49.3 16.4 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -25.1 25.22 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.218 -0.926 . . . . 0.0 111.773 163.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.678 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -67.91 -50.87 53.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -52.77 -48.97 66.44 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.267 -0.895 . . . . 0.0 113.279 166.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.91 69.08 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 171.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.702 ' HE1' HG13 ' A' ' 22' ' ' ILE . 20.8 t80 -75.67 -58.24 3.4 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.323 -0.861 . . . . 0.0 112.165 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -42.72 -46.77 5.23 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.165 0.986 . . . . 0.0 112.977 163.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -69.15 -42.87 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 C-N-CA 124.234 1.014 . . . . 0.0 110.249 -169.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.02 -36.4 74.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.301 -0.874 . . . . 0.0 110.408 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -80.89 109.44 15.46 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.246 -0.909 . . . . 0.0 112.827 -165.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.95 -70.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.077 -1.015 . . . . 0.0 109.232 -178.731 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -97.64 -18.73 18.73 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -161.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 77.52 69.67 0.05 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 159.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.16 -19.3 30.3 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.916 0.887 . . . . 0.0 112.701 160.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.55 1.9 53.23 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.282 -0.886 . . . . 0.0 115.246 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.462 ' HD2' ' NH1' ' B' ' 57' ' ' ARG . 22.9 m-30 -123.63 156.03 36.59 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.131 -1.217 . . . . 0.0 111.653 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.702 HG13 ' HE1' ' A' ' 11' ' ' PHE . 25.9 mt -106.92 146.81 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.032 -1.042 . . . . 0.0 110.275 170.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -122.7 176.18 6.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.217 -0.927 . . . . 0.0 112.747 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 tt -71.81 -27.09 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.129 -0.982 . . . . 0.0 110.269 -175.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.14 -35.43 74.05 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.073 -1.017 . . . . 0.0 113.724 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.57 -24.16 58.88 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.944 ' CD1' HG22 ' B' ' 43' ' ' ILE . 1.9 tm? -61.04 -74.83 0.07 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.156 0.982 . . . . 0.0 111.828 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.454 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -49.02 -49.91 28.65 Favored Glycine 0 CA--C 1.572 3.623 0 O-C-N 121.136 -0.978 . . . . 0.0 115.092 -175.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.48 -36.68 68.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.301 -1.117 . . . . 0.0 113.939 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.1 mt -43.61 -65.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.073 -1.017 . . . . 0.0 110.157 159.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.26 -34.18 60.21 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.091 -1.006 . . . . 0.0 111.417 -175.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.34 -29.94 19.94 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.353 -0.842 . . . . 0.0 110.811 -170.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.67 64.4 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -164.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 p -135.43 -27.22 1.21 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.304 -0.873 . . . . 0.0 109.833 -159.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.07 64.59 2.61 Favored Glycine 0 CA--C 1.572 3.62 0 O-C-N 121.229 -0.92 . . . . 0.0 115.085 167.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 O-C-N 121.235 -1.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 41.65 58.88 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.694 HG21 ' H ' ' B' ' 42' ' ' ASP . 15.3 t -66.15 168.09 9.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.166 -0.958 . . . . 0.0 109.798 176.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -74.32 -21.97 59.47 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 163.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.12 -35.76 79.72 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 172.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.694 ' H ' HG21 ' B' ' 39' ' ' THR . 71.5 m-20 -59.22 -36.8 76.06 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.215 -0.928 . . . . 0.0 112.664 169.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.944 HG22 ' CD1' ' A' ' 27' ' ' LEU . 1.2 mp -70.08 -46.81 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 172.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -38.69 86.04 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.09 -36.91 66.88 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.998 0.919 . . . . 0.0 112.667 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.63 -45.3 94.66 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.762 ' HE3' HG13 ' B' ' 58' ' ' ILE . 17.0 tpt -78.7 -7.12 57.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.151 -0.968 . . . . 0.0 112.086 -177.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -93.15 -33.8 13.88 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.151 -0.968 . . . . 0.0 109.973 164.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.4 -52.06 44.32 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.501 -0.749 . . . . 0.0 112.446 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.6 m -63.9 -42.73 97.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.201 -0.937 . . . . 0.0 112.854 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.08 179.8 4.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 112.706 -161.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.27 -138.33 0.16 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.143 -0.973 . . . . 0.0 109.589 154.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -69.53 -45.53 68.61 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.616 -1.302 . . . . 0.0 113.029 -155.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m120 53.54 98.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.983 0.913 . . . . 0.0 113.444 154.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -27.02 -37.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.252 1.021 . . . . 0.0 112.739 154.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.26 -25.95 0.1 OUTLIER Glycine 0 CA--C 1.572 3.6 0 O-C-N 121.066 -1.021 . . . . 0.0 115.404 154.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.462 ' NH1' ' HD2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -116.25 173.55 6.53 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.136 -1.214 . . . . 0.0 114.071 -154.388 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 1.032 HG22 ' HB2' ' B' ' 62' ' ' GLU . 63.4 mt -109.54 150.22 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 110.335 -171.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -120.23 174.86 6.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.075 -1.015 . . . . 0.0 112.826 166.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.04 -33.27 51.11 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.955 -1.09 . . . . 0.0 112.025 -171.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.32 -84.73 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.84 2.257 . . . . 0.0 111.271 170.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 1.032 ' HB2' HG22 ' B' ' 58' ' ' ILE . 8.7 mt-10 -28.58 -33.53 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.913 -1.494 . . . . 0.0 113.982 168.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -62.34 -53.5 54.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.718 -1.239 . . . . 0.0 111.973 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.72 -32.18 59.31 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.414 1.086 . . . . 0.0 111.838 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -85.74 -51.12 6.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.063 -1.023 . . . . 0.0 109.35 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.8 ttp -52.96 -30.21 33.5 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 171.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 36.3 tpp -77.52 -54.73 6.06 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.217 -0.927 . . . . 0.0 110.601 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.76 -88.13 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.79 152.96 7.68 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.166 -0.959 . . . . 0.0 115.106 -168.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.513 HG11 ' N ' ' B' ' 72' ' ' NH2 . 0.9 OUTLIER -114.56 157.43 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.286 -1.126 . . . . 0.0 108.478 165.058 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -70.96 -31.94 68.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.163 -0.961 . . . . 0.0 112.037 161.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . 0.513 ' N ' HG11 ' B' ' 70' ' ' VAL . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.253 -0.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.368 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 pttm -96.21 145.62 25.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.457 -0.777 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.86 -164.27 1.1 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.247 -0.908 . . . . 0.0 112.397 159.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.5 tt0 -157.4 -30.31 0.08 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.235 -0.916 . . . . 0.0 111.836 161.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.585 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 6.4 tt0 -46.81 -55.7 7.48 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -41.08 96.51 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -173.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.009 HD21 HD22 ' B' ' 64' ' ' LEU . 5.1 mp -69.58 -21.54 63.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 111.711 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.585 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -67.42 -62.22 1.53 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -42.8 -53.06 4.78 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 113.232 162.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.2 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.508 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 79.8 t80 -77.0 -30.05 55.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 0.0 112.13 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -68.73 -30.14 68.71 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.422 1.089 . . . . 0.0 113.027 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -79.72 -37.61 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 C-N-CA 124.359 1.064 . . . . 0.0 110.172 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.541 ' CD1' HD13 ' A' ' 30' ' ' ILE . 10.8 m-30 -71.25 -28.72 64.36 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.841 0.856 . . . . 0.0 110.435 178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.749 ' OD2' ' HB2' ' A' ' 18' ' ' ALA . 61.6 t0 -40.38 141.23 0.54 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.212 1.005 . . . . 0.0 112.843 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 -38.85 4.39 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.205 -0.934 . . . . 0.0 109.29 165.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -128.19 -81.66 0.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.749 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . . . 72.47 83.32 0.13 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 157.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.03 -21.0 58.38 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.245 -0.909 . . . . 0.0 112.767 161.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.44 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -175.5 -31.16 0.04 OUTLIER Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.116 -0.99 . . . . 0.0 115.002 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.44 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.5 m-30 -111.57 161.38 16.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.256 -1.143 . . . . 0.0 111.748 -166.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.499 HG22 ' OE1' ' A' ' 26' ' ' GLU . 84.1 mt -115.24 121.55 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.021 -1.049 . . . . 0.0 110.266 168.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.16 177.23 4.92 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.965 -1.084 . . . . 0.0 112.761 -157.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -27.45 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.203 -0.936 . . . . 0.0 110.22 -178.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -27.42 56.23 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' OE1' HG22 ' A' ' 22' ' ' ILE . 49.9 mt-10 -66.26 -38.53 88.04 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 166.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.809 HD11 HG22 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -64.22 -68.22 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.197 -0.939 . . . . 0.0 111.883 -157.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.54 -51.3 1.39 Allowed Glycine 0 CA--C 1.572 3.643 0 O-C-N 121.17 -0.956 . . . . 0.0 115.144 173.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -75.97 -20.87 57.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.266 -1.138 . . . . 0.0 113.89 -171.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.541 HD13 ' CD1' ' A' ' 14' ' ' PHE . 23.9 mm -58.87 -69.81 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 156.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.484 HD12 HD23 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.52 -36.84 46.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.094 -1.004 . . . . 0.0 111.349 -173.484 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -23.85 11.89 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.327 -0.858 . . . . 0.0 110.823 -164.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -123.42 172.62 8.56 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.49 -39.77 8.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.173 -0.954 . . . . 0.0 109.771 -171.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.81 162.35 27.43 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.154 -0.966 . . . . 0.0 115.129 -161.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.222 -1.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.327 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.53 150.98 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.69 ' O ' HD12 ' B' ' 43' ' ' ILE . 3.4 p -141.79 169.79 16.92 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.231 -0.918 . . . . 0.0 109.716 171.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.22 -60.54 3.69 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 167.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.96 -17.15 64.48 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.91 -37.94 19.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.172 -0.955 . . . . 0.0 112.698 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.809 HG22 HD11 ' A' ' 27' ' ' LEU . 1.7 mp -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.152 -0.968 . . . . 0.0 110.266 166.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -39.1 91.88 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.53 -37.33 84.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.367 -0.833 . . . . 0.0 112.645 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.06 -45.01 87.13 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.461 ' HE3' HG13 ' B' ' 58' ' ' ILE . 77.6 mmm -71.03 -48.23 54.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.982 -1.074 . . . . 0.0 112.052 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.85 -25.16 66.44 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.241 -0.912 . . . . 0.0 110.381 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.97 -57.95 5.89 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.878 -1.139 . . . . 0.0 112.399 168.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.4 p -66.09 -30.7 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.083 -1.01 . . . . 0.0 112.876 -168.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -82.78 134.48 35.12 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.222 -0.924 . . . . 0.0 112.682 -157.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 1.0 OUTLIER -64.85 -96.8 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 110.078 156.037 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -67.49 -6.74 21.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.217 -0.927 . . . . 0.0 113.355 -154.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 m120 62.79 38.14 11.91 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.15 -0.969 . . . . 0.0 113.303 170.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -72.7 -39.85 66.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.216 -0.928 . . . . 0.0 112.697 155.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.75 19.26 41.19 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.231 -0.918 . . . . 0.0 115.124 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -133.4 136.4 45.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -1.164 . . . . 0.0 113.859 170.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.478 HG22 ' HG3' ' B' ' 62' ' ' GLU . 70.3 mt -108.04 113.09 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.097 -1.002 . . . . 0.0 110.186 -154.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -94.14 163.45 13.46 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.907 -1.121 . . . . 0.0 113.16 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.523 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 40.9 t80 -51.81 -32.41 31.31 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.003 0.921 . . . . 0.0 112.034 -160.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -49.91 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 124.618 2.151 . . . . 0.0 111.362 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.478 ' HG3' HG22 ' B' ' 58' ' ' ILE . 10.5 pt-20 -38.37 -17.04 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 168.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.508 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 20.6 t80 -66.54 -58.82 4.4 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.747 -1.846 . . . . 0.0 112.059 162.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 1.009 HD22 HD21 ' A' ' 7' ' ' LEU . 19.0 mt -50.86 -28.56 9.77 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.591 1.156 . . . . 0.0 111.923 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -95.08 -21.8 18.31 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.119 -0.988 . . . . 0.0 109.604 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.48 ' HE3' ' CD1' ' B' ' 63' ' ' PHE . 3.1 ttp -73.45 -12.27 60.74 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 171.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.4 ' HE1' HD22 ' A' ' 7' ' ' LEU . 1.4 ttp -114.13 -40.45 3.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.212 -0.93 . . . . 0.0 110.546 179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.03 39.18 2.75 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -24.97 108.17 0.01 OUTLIER Glycine 0 CA--C 1.572 3.622 0 O-C-N 121.248 -0.907 . . . . 0.0 115.14 160.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.78 115.47 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.299 -1.118 . . . . 0.0 108.51 160.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -40.06 140.12 0.61 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.158 -0.964 . . . . 0.0 111.935 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.419 0 O-C-N 121.118 -0.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.378 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt 73.46 97.86 0.07 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.568 -0.708 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 136.32 55.01 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.317 -0.864 . . . . 0.0 112.434 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 1.1 mp0 -112.93 -29.15 7.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.18 -0.95 . . . . 0.0 111.857 161.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -35.35 -60.34 0.49 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.52 -48.62 71.87 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.692 HD11 HD22 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -62.81 -36.17 82.31 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.219 -0.925 . . . . 0.0 111.704 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -51.07 31.46 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -39.48 -50.1 2.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.275 -0.891 . . . . 0.0 113.271 162.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.73 74.81 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.616 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 91.5 t80 -70.29 -31.22 68.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 112.119 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.922 ' HD2' HG12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -80.26 -38.8 30.21 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.24 -0.913 . . . . 0.0 112.944 170.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.922 HG12 ' HD2' ' A' ' 12' ' ' ARG . 1.9 mm -67.22 -38.82 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 C-N-CA 124.066 0.946 . . . . 0.0 110.291 -173.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.236 -0.915 . . . . 0.0 110.37 171.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.56 156.22 25.32 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.278 -0.889 . . . . 0.0 112.842 -167.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 15.1 mtmm -129.56 7.35 5.29 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.938 -167.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 179.93 83.71 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.216 -1.553 . . . . 0.0 114.588 -154.204 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 63.43 75.14 0.4 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -154.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.21 -21.73 0.3 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.376 -0.828 . . . . 0.0 112.714 168.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.74 -50.08 55.46 Favored Glycine 0 CA--C 1.572 3.618 0 O-C-N 121.142 -0.974 . . . . 0.0 115.209 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -116.94 156.06 28.06 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.245 -1.15 . . . . 0.0 111.735 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -115.36 158.34 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.227 -0.921 . . . . 0.0 110.266 166.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -126.85 168.82 13.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.006 -1.059 . . . . 0.0 112.67 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 tt -67.56 -29.63 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.178 -0.951 . . . . 0.0 110.253 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.85 -33.2 75.44 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 172.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -77.83 -25.37 48.78 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.725 HD21 HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -66.96 -71.38 0.2 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.203 -0.936 . . . . 0.0 111.875 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -37.83 -61.39 1.13 Allowed Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.158 -0.964 . . . . 0.0 115.123 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.21 -30.86 71.93 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.307 -1.114 . . . . 0.0 113.931 -171.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.17 -74.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.186 -0.946 . . . . 0.0 110.253 156.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.725 HD22 HD21 ' A' ' 27' ' ' LEU . 4.5 pp -62.43 -4.22 1.78 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.29 -0.881 . . . . 0.0 111.681 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -64.79 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.229 -0.919 . . . . 0.0 110.808 168.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.598 ' O ' HG22 ' A' ' 34' ' ' THR . . . -96.67 162.79 13.29 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -164.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -161.91 -42.17 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.237 -0.915 . . . . 0.0 109.805 167.063 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.53 71.52 0.05 OUTLIER Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.213 -0.929 . . . . 0.0 115.09 169.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.438 0 O-C-N 121.199 -1.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.368 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t 73.86 123.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.02 -167.97 1.39 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.206 -0.934 . . . . 0.0 109.714 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.29 -37.78 86.83 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.63 72.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -61.56 -42.43 98.83 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.251 -0.906 . . . . 0.0 112.709 168.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.406 HG22 HD11 ' A' ' 27' ' ' LEU . 8.1 mt -60.27 -58.56 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.143 -0.973 . . . . 0.0 110.191 173.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -32.89 74.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.052 -1.03 . . . . 0.0 113.776 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.32 -53.89 44.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.286 -0.884 . . . . 0.0 112.642 165.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.36 -61.39 2.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.113 -0.992 . . . . 0.0 113.671 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 27.5 ttt -89.58 -3.57 58.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.655 -1.278 . . . . 0.0 112.165 -159.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -37.08 11.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.163 -0.96 . . . . 0.0 109.909 163.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.46 -25.71 66.02 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.383 -0.823 . . . . 0.0 112.41 173.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -89.81 -48.99 6.89 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 0.0 112.859 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -72.77 130.3 40.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.702 -157.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -102.43 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.27 -0.894 . . . . 0.0 109.873 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -70.89 -7.27 44.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.848 -1.158 . . . . 0.0 113.301 -164.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.64 49.19 3.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.953 . . . . 0.0 113.266 163.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.02 -51.28 6.78 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.295 -0.878 . . . . 0.0 112.582 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -47.28 0.28 Allowed Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.257 -0.902 . . . . 0.0 115.209 173.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt-85 -112.63 158.72 19.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.305 -1.115 . . . . 0.0 113.866 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.654 HG22 ' HB2' ' B' ' 62' ' ' GLU . 66.0 mt -109.46 136.6 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.163 -0.961 . . . . 0.0 110.301 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -114.4 -178.27 3.33 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.225 1.01 . . . . 0.0 112.846 162.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -55.06 -34.88 63.96 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.015 -1.053 . . . . 0.0 112.033 -168.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -84.79 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.752 2.215 . . . . 0.0 111.39 172.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.654 ' HB2' HG22 ' B' ' 58' ' ' ILE . 1.1 mp0 -27.93 -35.91 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.821 167.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.616 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 56.2 t80 -61.85 -50.22 73.13 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.971 -1.081 . . . . 0.0 111.816 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.692 HD22 HD11 ' A' ' 7' ' ' LEU . 13.2 mt -56.85 -32.57 65.94 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 124.874 1.27 . . . . 0.0 111.882 175.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -85.65 -40.14 16.52 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.6 ttp -50.95 -36.12 37.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 169.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.603 ' SD ' HD12 ' A' ' 7' ' ' LEU . 6.4 ptm -114.62 -14.8 12.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.174 -0.954 . . . . 0.0 110.537 -168.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.35 47.12 1.13 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 168.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -85.87 -142.64 6.59 Favored Glycine 0 CA--C 1.571 3.585 0 O-C-N 121.237 -0.914 . . . . 0.0 115.116 162.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.436 HG11 ' O ' ' B' ' 70' ' ' VAL . 7.3 p -79.58 101.89 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.226 -1.161 . . . . 0.0 108.527 -164.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.71 -34.24 0.59 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.183 -0.948 . . . . 0.0 111.923 165.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.423 0 O-C-N 121.163 -0.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.03 116.54 29.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.516 -0.74 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -131.47 99.26 4.76 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.288 -0.883 . . . . 0.0 112.42 166.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 21.4 pt-20 -152.39 -36.97 0.11 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.213 -0.929 . . . . 0.0 111.887 -167.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.488 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -54.61 -47.84 72.93 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -171.002 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.93 -43.38 13.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.676 HD21 HD22 ' B' ' 64' ' ' LEU . 1.4 mp -60.96 -8.59 3.3 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 124.18 0.992 . . . . 0.0 111.806 163.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -89.87 -42.39 11.26 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -59.34 -37.18 77.18 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.169 -0.957 . . . . 0.0 113.226 160.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -69.67 -38.59 77.13 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 174.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.893 ' HD2' ' CD2' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -74.1 -44.69 53.03 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.206 -0.934 . . . . 0.0 112.316 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -46.51 -53.67 10.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.064 -1.022 . . . . 0.0 112.979 160.268 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -68.49 -27.23 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.317 1.047 . . . . 0.0 110.304 -168.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.97 -51.57 63.74 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.052 0.941 . . . . 0.0 110.429 171.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -74.3 127.91 34.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.153 -0.967 . . . . 0.0 112.792 -162.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.28 -21.15 27.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.172 -0.955 . . . . 0.0 109.388 -162.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -122.38 -28.1 4.34 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.528 1.306 . . . . 0.0 114.528 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.88 50.16 0.86 Allowed 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 163.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.22 -12.16 60.77 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.174 -0.954 . . . . 0.0 112.67 154.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.35 -18.09 4.45 Favored Glycine 0 CA--C 1.573 3.66 0 O-C-N 121.17 -0.956 . . . . 0.0 115.073 174.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -112.06 171.33 7.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.344 -1.092 . . . . 0.0 111.706 -155.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.432 HG13 ' CE1' ' A' ' 11' ' ' PHE . 5.7 mt -107.04 144.53 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 110.291 157.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.65 165.01 12.17 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.125 -0.984 . . . . 0.0 112.648 170.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -39.25 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.324 -0.86 . . . . 0.0 110.182 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.89 -29.92 63.53 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -174.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.73 ' O ' HD11 ' A' ' 30' ' ' ILE . 63.1 mt-10 -79.77 -18.25 51.48 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.586 HD22 HD22 ' A' ' 31' ' ' LEU . 6.1 tt -66.82 -61.12 2.12 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.219 -0.926 . . . . 0.0 111.868 -175.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.33 -54.3 7.42 Favored Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.094 -1.004 . . . . 0.0 115.18 166.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.56 -40.43 78.9 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.268 -1.136 . . . . 0.0 113.867 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.73 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -54.14 -77.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.14 -0.975 . . . . 0.0 110.245 162.494 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.586 HD22 HD22 ' A' ' 27' ' ' LEU . 4.6 pp -54.99 -22.67 16.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.11 -0.994 . . . . 0.0 111.626 -165.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -77.71 -68.64 0.61 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.249 -0.907 . . . . 0.0 110.752 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.26 -74.81 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -157.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 p -65.61 147.07 54.01 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.231 -0.918 . . . . 0.0 109.774 -161.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.73 105.49 0.26 Allowed Glycine 0 CA--C 1.571 3.569 0 O-C-N 121.229 -0.919 . . . . 0.0 115.116 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.405 0 O-C-N 121.245 -1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.332 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.493 HG11 ' O ' ' B' ' 38' ' ' VAL . 10.4 p -146.43 78.03 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.86 154.06 49.56 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.183 -0.948 . . . . 0.0 109.7 -164.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -20.15 65.77 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 161.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.87 -28.05 66.35 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -38.26 88.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.235 -0.916 . . . . 0.0 112.668 166.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.72 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.256 -0.902 . . . . 0.0 110.267 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -37.67 80.06 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.88 -42.64 85.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.37 -0.831 . . . . 0.0 112.724 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.426 ' HA ' HD21 ' B' ' 46' ' ' LEU . 2.9 tm? -60.7 -41.4 95.12 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 166.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.411 ' HE3' HG13 ' B' ' 58' ' ' ILE . 13.9 tpt -63.98 -8.89 12.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.186 -0.946 . . . . 0.0 112.087 167.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.41 -31.23 11.02 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.263 -0.898 . . . . 0.0 110.282 170.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.07 -51.08 58.84 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.399 -0.813 . . . . 0.0 112.447 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -77.68 -39.96 43.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.27 -0.894 . . . . 0.0 112.915 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.24 144.12 57.37 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.257 -0.902 . . . . 0.0 112.674 -169.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -144.72 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.149 -0.97 . . . . 0.0 109.96 155.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -1.43 8.22 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 m120 58.36 87.23 0.07 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.805 -1.185 . . . . 0.0 113.271 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -74.4 -44.5 51.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.186 -0.946 . . . . 0.0 112.728 158.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.0 -52.86 0.1 Allowed Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.092 -1.005 . . . . 0.0 115.068 167.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 177.52 7.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -1.138 . . . . 0.0 113.846 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 1.046 HD12 ' HE3' ' B' ' 66' ' ' MET . 51.4 mt -100.7 134.72 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.129 -0.982 . . . . 0.0 110.117 -159.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -111.38 173.03 6.54 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 124.402 1.081 . . . . 0.0 112.807 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.893 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 38.8 t80 -52.65 -31.7 38.28 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.867 -1.146 . . . . 0.0 112.119 -165.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -83.41 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.829 2.252 . . . . 0.0 111.508 168.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.795 ' HB2' HG22 ' B' ' 58' ' ' ILE . 15.4 mt-10 -25.56 -38.54 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.722 0 CA-C-N 113.778 -1.556 . . . . 0.0 113.684 166.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.514 ' HA ' ' HE1' ' B' ' 66' ' ' MET . 64.9 t80 -63.21 -50.66 69.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.039 -1.038 . . . . 0.0 112.121 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.676 HD22 HD21 ' A' ' 7' ' ' LEU . 52.8 mt -62.35 -39.5 93.34 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.524 1.13 . . . . 0.0 111.816 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -72.5 -39.0 67.99 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.051 -1.031 . . . . 0.0 109.381 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 1.046 ' HE3' HD12 ' B' ' 58' ' ' ILE . 1.6 ttm -70.48 -21.64 62.75 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 45.0 tpp -79.84 -61.72 1.9 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.292 -0.88 . . . . 0.0 110.547 166.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -73.25 -52.33 14.42 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.3 43.77 14.53 Favored Glycine 0 CA--C 1.571 3.551 0 O-C-N 121.234 -0.916 . . . . 0.0 115.107 154.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -105.94 56.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.21 -1.171 . . . . 0.0 108.494 -155.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -154.47 0.33 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.238 -0.914 . . . . 0.0 111.948 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.254 -0.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.334 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.81 111.69 24.03 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.531 -0.731 . . . . 0.0 110.109 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -68.4 158.29 33.94 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.33 -0.856 . . . . 0.0 112.418 -172.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.3 mp0 -156.62 -26.43 0.1 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.236 -0.915 . . . . 0.0 111.787 -164.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -40.64 -44.48 2.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.64 -47.37 54.89 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.828 HD11 HD22 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -71.52 -36.72 71.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.152 -0.968 . . . . 0.0 111.752 175.606 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.455 ' O ' ' HD2' ' A' ' 12' ' ' ARG . . . -56.65 -60.99 2.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 168.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -34.55 -71.39 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.024 0.93 . . . . 0.0 113.244 160.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.09 72.9 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.592 ' HE2' ' HB2' ' B' ' 60' ' ' PHE . 1.8 t80 -68.24 -40.25 82.03 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.183 -0.948 . . . . 0.0 112.17 175.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 8' ' ' ALA . 32.1 mtt180 -59.01 -38.98 80.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 112.949 162.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -71.68 -33.88 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.358 1.063 . . . . 0.0 110.247 -168.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -60.53 -41.89 95.35 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.31 -0.869 . . . . 0.0 110.445 166.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.74 141.97 44.39 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.193 -0.942 . . . . 0.0 112.732 -161.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.79 30.6 5.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -162.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -173.42 -39.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 83.98 44.02 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 154.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -68.99 -21.58 64.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.206 -0.934 . . . . 0.0 112.595 154.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.0 -28.94 3.44 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.263 -0.898 . . . . 0.0 115.332 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.43 167.2 10.2 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.191 -1.182 . . . . 0.0 111.653 -167.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.545 HG13 ' HE1' ' A' ' 11' ' ' PHE . 2.1 mt -95.79 159.13 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.187 -0.945 . . . . 0.0 110.329 166.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -124.47 -178.25 4.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.241 -0.912 . . . . 0.0 112.753 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.632 HD13 HG21 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.6 -37.01 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.235 -0.915 . . . . 0.0 110.223 178.342 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.19 -33.8 73.92 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.7 -34.99 60.43 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' CD2' HG22 ' B' ' 43' ' ' ILE . 1.0 OUTLIER -43.44 -63.38 0.84 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 111.967 175.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.2 -47.03 85.13 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.078 -1.014 . . . . 0.0 115.171 -174.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 48.2 mm-40 -62.76 -35.79 80.95 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.257 -1.143 . . . . 0.0 113.885 173.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.458 HD12 HD12 ' A' ' 22' ' ' ILE . 11.9 mt -48.26 -65.18 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.029 -1.044 . . . . 0.0 110.178 162.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' ' 32' ' ' ARG . 2.3 pp -64.73 -19.9 66.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 111.599 -164.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.7 ' HB2' HD13 ' A' ' 31' ' ' LEU . 14.2 ttm-85 -114.05 -14.2 12.41 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.067 -1.021 . . . . 0.0 111.044 -169.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -72.55 -32.81 66.37 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -82.83 115.19 21.62 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.202 -0.936 . . . . 0.0 109.723 -154.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.6 22.51 0.03 OUTLIER Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.284 -0.885 . . . . 0.0 115.012 157.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.22 -1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . 0.404 ' C ' HG21 ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.236 0.347 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.404 HG21 ' C ' ' B' ' 37' ' ' ACE . 2.5 t 81.54 82.06 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.75 -172.22 2.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.193 -0.942 . . . . 0.0 109.772 -178.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.65 -48.77 16.0 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -167.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.57 -35.39 75.96 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.9 -50.67 72.87 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.185 -0.947 . . . . 0.0 112.652 171.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.632 HG21 HD13 ' A' ' 24' ' ' ILE . 11.4 mt -61.95 -38.0 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.158 -0.964 . . . . 0.0 110.239 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.5 75.82 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.76 -46.02 66.77 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.903 0.881 . . . . 0.0 112.69 170.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 tt -63.78 -46.5 84.93 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.5 ttt -63.97 -32.57 74.15 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.021 -1.049 . . . . 0.0 112.068 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -85.73 -8.69 58.01 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 110.542 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -67.09 -67.2 0.47 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.113 -1.617 . . . . 0.0 112.451 154.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.2 p -64.09 -41.99 97.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.956 -1.09 . . . . 0.0 112.822 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -53.73 133.59 42.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.193 -0.942 . . . . 0.0 112.706 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -95.48 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.979 -1.076 . . . . 0.0 110.154 158.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.75 -23.59 63.35 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.235 -0.916 . . . . 0.0 113.382 -154.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 59.32 80.92 0.18 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.174 -0.954 . . . . 0.0 113.277 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.73 14.8 2.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.942 . . . . 0.0 112.841 166.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.9 -19.91 24.91 Favored Glycine 0 CA--C 1.571 3.555 0 O-C-N 120.758 -1.214 . . . . 0.0 115.663 154.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 mtt85 -118.51 165.16 14.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.048 -1.266 . . . . 0.0 113.992 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.992 HG22 ' HB2' ' B' ' 62' ' ' GLU . 72.9 mt -112.52 135.81 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.173 -0.954 . . . . 0.0 110.496 170.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -122.68 179.17 4.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.015 -1.053 . . . . 0.0 112.837 168.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.592 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -53.87 -32.07 51.91 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.832 -1.168 . . . . 0.0 112.035 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.68 -83.86 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 124.91 2.29 . . . . 0.0 111.615 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.992 ' HB2' HG22 ' B' ' 58' ' ' ILE . 0.6 OUTLIER -25.53 -37.0 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.813 165.679 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.02 -52.68 61.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.207 -0.933 . . . . 0.0 111.885 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.828 HD22 HD11 ' A' ' 7' ' ' LEU . 57.2 mt -60.4 -29.03 68.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.338 1.055 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -43.79 20.09 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -16.17 5.27 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 173.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.22 -53.44 4.85 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.142 -0.974 . . . . 0.0 110.529 165.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.28 -38.32 84.88 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -167.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.03 -98.1 1.27 Allowed Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.15 -0.969 . . . . 0.0 115.105 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.5 t -113.75 161.38 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.225 -1.162 . . . . 0.0 108.497 161.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -46.35 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.175 -0.953 . . . . 0.0 111.955 171.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.425 0 O-C-N 121.244 -0.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 69.95 0.75 Allowed 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 123.558 0.743 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -59.42 118.15 5.67 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.295 -0.878 . . . . 0.0 112.48 159.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 3.9 mt-10 -52.42 -36.47 54.42 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.312 -0.867 . . . . 0.0 111.879 -164.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.65 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 5.2 tt0 -80.98 -37.19 29.72 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -159.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -32.8 69.76 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.498 HD13 ' OE2' ' B' ' 68' ' ' GLU . 4.0 mt -68.88 -20.26 64.26 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.039 0.935 . . . . 0.0 111.781 162.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -74.2 -48.51 28.57 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 168.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -56.61 -40.8 75.95 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.299 -0.875 . . . . 0.0 113.231 166.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.28 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 0.8 OUTLIER -69.12 -31.87 70.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.84 . . . . 0.0 112.082 175.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -64.73 -46.77 80.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.233 -0.917 . . . . 0.0 112.952 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -76.57 -31.43 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.382 1.073 . . . . 0.0 110.216 -165.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CD1' HD12 ' A' ' 30' ' ' ILE . 22.1 m-30 -61.76 -52.32 64.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.347 -0.845 . . . . 0.0 110.425 166.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -67.69 98.8 0.73 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.15 -0.968 . . . . 0.0 112.805 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -12.71 60.0 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.127 -0.983 . . . . 0.0 109.386 -163.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.08 -35.24 9.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 172.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.34 49.4 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.6 11.89 20.58 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.195 -0.941 . . . . 0.0 112.655 162.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.99 6.89 84.52 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.214 -0.929 . . . . 0.0 115.113 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -115.8 156.68 25.61 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.359 -1.083 . . . . 0.0 111.653 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.867 HG22 ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.77 150.68 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.119 -0.988 . . . . 0.0 110.273 162.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.19 162.15 19.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.258 -0.901 . . . . 0.0 112.69 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.64 HD13 HG21 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.98 -23.06 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.288 -0.882 . . . . 0.0 110.329 178.739 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -75.74 -35.5 60.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.904 -1.123 . . . . 0.0 113.722 173.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.867 ' CG ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.05 -52.95 29.46 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.801 ' HG ' HD22 ' A' ' 31' ' ' LEU . 6.2 tp -39.65 -77.83 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 124.248 1.019 . . . . 0.0 111.834 174.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 31' ' ' LEU . . . -51.45 -37.73 40.95 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.158 -0.964 . . . . 0.0 115.105 -170.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -56.97 -58.41 8.28 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.234 -1.156 . . . . 0.0 113.865 170.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.507 HD12 ' CD1' ' A' ' 14' ' ' PHE . 4.2 mt -51.6 -58.39 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.162 -0.961 . . . . 0.0 110.205 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.801 HD22 ' HG ' ' A' ' 27' ' ' LEU . 4.4 pp -63.35 -32.06 73.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.002 -1.061 . . . . 0.0 111.618 -170.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.612 ' CG ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.77 35.14 4.53 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.224 -0.923 . . . . 0.0 110.784 -169.186 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.63 140.38 47.45 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 167.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 34' ' ' THR . 4.7 t -164.0 35.15 0.08 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.295 -0.878 . . . . 0.0 109.81 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.17 -81.94 0.76 Allowed Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.3 -0.875 . . . . 0.0 115.086 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.404 0 O-C-N 121.251 -1.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.58 150.24 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.1 p -134.18 127.69 32.5 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.215 -0.928 . . . . 0.0 109.706 168.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -39.89 95.85 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.33 -39.61 89.36 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -65.65 0.53 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.194 -0.941 . . . . 0.0 112.648 165.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 24' ' ' ILE . 1.6 mp -66.35 -38.02 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.046 -1.034 . . . . 0.0 110.28 -168.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.13 -34.11 65.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -65.79 -47.04 76.47 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.323 -0.861 . . . . 0.0 112.702 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.41 -43.86 97.81 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 169.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.39 13.17 2.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.071 -1.018 . . . . 0.0 112.074 169.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -102.0 -40.02 7.06 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.058 0.943 . . . . 0.0 109.925 157.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -67.59 -40.11 84.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.446 -0.784 . . . . 0.0 112.505 -171.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.7 m -104.35 -7.94 19.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.237 -0.914 . . . . 0.0 113.099 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.64 26.57 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.036 -1.04 . . . . 0.0 112.673 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -41.4 93.99 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.172 -0.955 . . . . 0.0 109.95 -164.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -73.54 5.04 4.14 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 m120 63.42 41.2 7.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.788 -1.195 . . . . 0.0 113.259 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -94.39 66.69 3.39 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.086 0.955 . . . . 0.0 112.684 156.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.49 -19.95 0.17 Allowed Glycine 0 CA--C 1.572 3.635 0 O-C-N 121.161 -0.962 . . . . 0.0 115.115 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 151.47 41.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.306 -1.114 . . . . 0.0 113.811 159.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.892 HG22 ' HB2' ' B' ' 62' ' ' GLU . 71.8 mt -108.37 148.42 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.097 -1.002 . . . . 0.0 110.187 -154.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.48 179.54 3.97 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.967 -1.083 . . . . 0.0 112.855 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.474 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 1.4 t80 -66.16 -32.24 73.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.905 -1.122 . . . . 0.0 112.044 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -83.87 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 124.947 2.308 . . . . 0.0 111.248 165.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.892 ' HB2' HG22 ' B' ' 58' ' ' ILE . 1.5 mm-40 -25.78 -37.87 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.712 0 CA-C-N 113.788 -1.551 . . . . 0.0 113.847 166.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 48.9 t80 -60.94 -50.77 72.06 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.211 -0.931 . . . . 0.0 111.884 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.34 -35.21 69.63 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 124.232 1.013 . . . . 0.0 111.897 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -42.25 70.57 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.095 -1.003 . . . . 0.0 109.383 172.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -75.6 -35.59 60.51 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -164.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.6 mtt -78.68 -70.3 0.51 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.217 -0.927 . . . . 0.0 110.564 157.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.498 ' OE2' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -93.58 16.44 13.73 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -159.39 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.91 89.52 0.01 OUTLIER Glycine 0 CA--C 1.571 3.547 0 O-C-N 121.214 -0.929 . . . . 0.0 115.127 168.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.27 22.86 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.244 -1.151 . . . . 0.0 108.499 -169.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -74.67 92.48 2.45 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.191 -0.943 . . . . 0.0 112.009 -173.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.4 0 O-C-N 121.209 -0.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.387 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp 41.91 77.82 0.05 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.496 -0.753 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.42 29.48 2.54 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.264 -0.898 . . . . 0.0 112.319 155.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.978 ' HG2' HD23 ' B' ' 64' ' ' LEU 0.258 0.1 OUTLIER -44.82 91.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.255 -0.903 . . . . 0.0 111.844 170.004 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 7.1 tt0 -89.96 -68.26 0.79 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -168.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -26.78 59.09 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 168.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -68.97 -27.9 66.14 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.051 0.94 . . . . 0.0 111.737 165.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -74.01 -57.17 4.15 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 173.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -31.71 -53.54 0.26 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.231 -0.918 . . . . 0.0 113.253 158.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.91 58.24 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.611 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 14.9 t80 -70.77 -34.59 71.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.222 -0.923 . . . . 0.0 112.092 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -32.09 35.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.189 -0.944 . . . . 0.0 112.92 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.65 -30.83 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.996 0.918 . . . . 0.0 110.333 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -71.66 -56.17 6.33 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.883 0.873 . . . . 0.0 110.341 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.39 130.25 42.32 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.24 -0.913 . . . . 0.0 112.804 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 26.68 6.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.967 . . . . 0.0 109.376 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -124.59 -32.53 3.11 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 80.52 43.73 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 156.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -71.92 -19.52 61.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 124.014 0.926 . . . . 0.0 112.698 160.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.23 -0.04 40.86 Favored Glycine 0 CA--C 1.571 3.562 0 N-CA-C 115.443 0.937 . . . . 0.0 115.443 -167.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.08 161.41 18.94 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.978 -1.307 . . . . 0.0 111.741 -171.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.41 137.04 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 124.059 0.944 . . . . 0.0 110.293 164.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -118.55 162.12 18.9 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.154 -0.966 . . . . 0.0 112.727 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.499 HD11 ' HA ' ' A' ' 24' ' ' ILE . 1.2 tp -64.42 -36.03 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.147 -0.971 . . . . 0.0 110.19 -174.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.93 -30.24 63.73 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -78.45 -17.62 56.06 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.628 HD12 HD12 ' A' ' 31' ' ' LEU . 2.0 tm? -68.8 -69.19 0.34 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.27 -0.894 . . . . 0.0 111.939 -171.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.522 ' CA ' HD13 ' A' ' 31' ' ' LEU . . . -25.17 -68.51 0.04 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.218 -0.926 . . . . 0.0 115.186 161.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.8 -28.52 69.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.255 -1.144 . . . . 0.0 113.872 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -61.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.145 -0.972 . . . . 0.0 110.211 164.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.628 HD12 HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.38 -20.69 20.57 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.169 -0.957 . . . . 0.0 111.332 174.865 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 43.3 3.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.359 -0.838 . . . . 0.0 110.814 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.06 -52.48 2.77 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 164.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -83.12 136.09 34.58 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.167 -0.958 . . . . 0.0 109.715 -171.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.27 134.26 7.69 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.242 -0.912 . . . . 0.0 115.081 157.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 O-C-N 121.24 -1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.372 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 p -114.29 135.24 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.45 ' O ' HD12 ' B' ' 43' ' ' ILE . 11.6 m -150.37 146.51 26.76 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.195 -0.941 . . . . 0.0 109.766 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.75 -27.49 61.2 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.78 -43.11 97.33 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.74 -43.44 62.92 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.221 -0.924 . . . . 0.0 112.67 167.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.45 HD12 ' O ' ' B' ' 39' ' ' THR . 1.3 mp -64.42 -36.13 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 110.251 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -40.16 91.59 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.05 -25.62 67.9 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.389 -0.819 . . . . 0.0 112.65 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.53 -50.26 22.33 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.826 ' HE1' HD13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -92.06 13.17 19.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.873 -1.142 . . . . 0.0 112.072 -176.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -99.08 -45.13 6.04 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.014 0.925 . . . . 0.0 109.937 155.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.57 -47.31 70.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.699 . . . . 0.0 112.438 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -88.58 -20.48 24.95 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.257 -0.902 . . . . 0.0 112.865 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.89 -136.02 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.126 -0.984 . . . . 0.0 112.576 171.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 -118.14 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.619 -1.301 . . . . 0.0 109.94 156.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -73.92 12.18 0.74 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.275 . . . . 0.0 113.435 -170.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 m120 76.61 32.71 0.53 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.983 -1.073 . . . . 0.0 113.161 158.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -122.99 53.26 1.3 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.054 1.342 . . . . 0.0 112.579 154.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.9 49.16 0.86 Allowed Glycine 0 CA--C 1.571 3.538 0 N-CA-C 115.58 0.992 . . . . 0.0 115.58 -161.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 134.73 0.91 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.252 -1.146 . . . . 0.0 113.737 154.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.826 HD13 ' HE1' ' B' ' 47' ' ' MET . 68.8 mt -90.96 144.42 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 C-N-CA 124.533 1.133 . . . . 0.0 110.265 -154.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -122.19 172.96 7.89 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.253 1.021 . . . . 0.0 112.697 165.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.583 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -58.24 -32.53 68.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.038 -1.039 . . . . 0.0 112.279 -160.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -78.94 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.702 0 O-C-N 120.747 -1.221 . . . . 0.0 113.525 162.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.78 ' HB2' HG22 ' B' ' 58' ' ' ILE . 32.8 mt-10 -36.71 -32.86 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 172.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.611 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 54.3 t80 -58.5 -49.75 76.22 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.394 -1.441 . . . . 0.0 111.836 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.978 HD23 ' HG2' ' A' ' 4' ' ' GLU . 25.8 mt -61.3 -28.33 69.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.749 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -80.21 -37.98 32.09 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.131 -0.98 . . . . 0.0 109.253 175.047 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.553 ' HE3' HD12 ' B' ' 58' ' ' ILE . 19.2 ttm -62.39 -53.18 58.7 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 31.7 tpp -62.93 -71.96 0.15 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.239 -0.913 . . . . 0.0 110.543 167.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.6 4.76 30.64 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -158.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -85.16 -29.68 27.43 Favored Glycine 0 CA--C 1.572 3.599 0 O-C-N 120.803 -1.185 . . . . 0.0 115.007 167.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.3 t -103.8 94.09 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.23 -1.159 . . . . 0.0 108.5 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.71 -84.24 0.13 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.182 -0.949 . . . . 0.0 112.074 -169.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.402 0 O-C-N 121.214 -0.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -86.16 118.85 25.88 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.545 -0.722 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 127.07 28.96 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.382 -0.824 . . . . 0.0 112.461 -170.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 8.4 pt-20 -107.1 -21.72 12.89 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.281 -0.887 . . . . 0.0 112.143 -171.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.455 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.66 -66.68 0.4 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.958 -1.089 . . . . 0.0 113.897 -164.637 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -26.9 68.68 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -172.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.414 ' CD1' ' HE2' ' B' ' 67' ' ' MET . 0.1 OUTLIER -77.75 -22.28 50.51 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.047 0.939 . . . . 0.0 111.7 170.588 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.658 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -71.84 -58.52 3.39 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -38.28 -50.28 1.44 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.312 -0.868 . . . . 0.0 113.288 160.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.89 66.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -174.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' HE2' ' CA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -68.95 -37.71 79.0 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.052 0.941 . . . . 0.0 112.104 176.497 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -83.36 -4.27 58.31 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.146 -0.971 . . . . 0.0 112.957 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mm -82.3 -44.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.4 1.08 . . . . 0.0 110.14 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.627 ' HB3' HD12 ' A' ' 30' ' ' ILE . 6.4 m-30 -67.2 -30.92 70.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.357 -0.84 . . . . 0.0 110.353 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -82.06 129.8 34.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.267 -0.896 . . . . 0.0 112.876 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -87.33 -49.89 6.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.086 -1.009 . . . . 0.0 109.382 -169.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.513 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 31.5 t30 -99.07 -27.19 13.95 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 80.1 46.67 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 159.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -88.71 -3.34 58.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.993 0.917 . . . . 0.0 112.95 157.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.1 8.67 35.78 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 120.69 -1.256 . . . . 0.0 115.339 170.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.23 158.73 23.81 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.108 -1.231 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.623 HG22 ' OE2' ' A' ' 26' ' ' GLU . 7.7 mt -101.28 131.35 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.045 -1.034 . . . . 0.0 110.28 162.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.73 173.5 6.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.196 -0.94 . . . . 0.0 112.657 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -26.76 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.228 -0.92 . . . . 0.0 110.304 173.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -33.92 64.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.978 -1.076 . . . . 0.0 113.772 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.623 ' OE2' HG22 ' A' ' 22' ' ' ILE . 1.2 pp20? -71.42 -49.59 40.25 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.811 HD13 HD13 ' B' ' 46' ' ' LEU . 7.6 tt -39.38 -58.13 1.28 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.085 1.354 . . . . 0.0 112.022 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.96 58.92 Favored Glycine 0 CA--C 1.572 3.608 0 O-C-N 121.181 -0.949 . . . . 0.0 115.094 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -30.2 46.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.274 -1.133 . . . . 0.0 113.91 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 14' ' ' PHE . 8.6 mt -59.18 -70.33 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.198 -0.939 . . . . 0.0 110.277 163.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.41 2.99 0.22 Allowed 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.104 -0.997 . . . . 0.0 111.483 -175.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -97.2 -50.32 4.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.242 -0.911 . . . . 0.0 110.89 163.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.96 -80.04 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -160.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.06 150.14 50.22 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.165 -0.959 . . . . 0.0 109.891 163.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.78 -83.91 0.01 OUTLIER Glycine 0 CA--C 1.572 3.604 0 O-C-N 121.232 -0.917 . . . . 0.0 115.114 168.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.405 0 O-C-N 121.22 -1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.3 t 42.28 70.07 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.84 -169.72 2.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.174 -0.953 . . . . 0.0 109.742 -166.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -76.0 -39.97 54.64 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.06 -18.89 64.06 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -176.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.905 . . . . 0.0 112.638 162.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.626 HG22 HD21 ' A' ' 27' ' ' LEU . 1.6 mp -65.73 -33.63 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.31 -0.868 . . . . 0.0 110.271 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.48 75.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 176.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -61.22 -32.82 72.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.259 -0.901 . . . . 0.0 112.622 165.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.811 HD13 HD13 ' A' ' 27' ' ' LEU . 2.8 tm? -79.27 -44.08 22.43 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.728 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 2.9 tpt -88.11 0.07 56.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.103 -0.998 . . . . 0.0 112.18 174.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -45.67 14.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.184 -0.948 . . . . 0.0 109.751 157.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.5 -28.77 68.12 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.579 -0.701 . . . . 0.0 112.469 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -93.31 -5.42 49.72 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.251 -0.906 . . . . 0.0 113.14 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.39 109.29 3.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.841 -1.162 . . . . 0.0 112.741 -174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -68.81 -122.9 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.075 -1.016 . . . . 0.0 109.833 154.721 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -71.56 -58.92 3.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.939 -1.101 . . . . 0.0 113.212 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 59.24 97.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.227 -0.921 . . . . 0.0 113.22 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.12 -34.48 78.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.184 -0.948 . . . . 0.0 112.658 156.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.34 -30.48 0.09 OUTLIER Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.232 -0.917 . . . . 0.0 114.971 -171.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 173.99 14.47 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -1.108 . . . . 0.0 113.851 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.806 HG22 ' CB ' ' B' ' 62' ' ' GLU . 78.3 mt -109.41 154.43 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.138 -0.976 . . . . 0.0 110.183 -170.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -121.7 -160.88 0.88 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.687 158.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.703 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 2.3 t80 -72.32 -33.76 67.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.093 -1.004 . . . . 0.0 112.095 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -47.82 -82.8 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.22 0 CA-C-O 124.689 2.185 . . . . 0.0 111.305 167.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.806 ' CB ' HG22 ' B' ' 58' ' ' ILE . 1.5 mp0 -22.92 -47.5 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.536 163.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.03 -51.16 71.24 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 121.74 0.781 . . . . 0.0 112.158 -176.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -54.88 -34.69 63.28 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.732 1.613 . . . . 0.0 112.084 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -85.36 -34.32 21.83 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.978 -1.077 . . . . 0.0 109.338 -173.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.4 ttp -72.06 -29.46 64.17 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.414 ' HE2' ' CD1' ' A' ' 7' ' ' LEU . 3.9 ppp? -97.22 -30.44 12.99 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.25 -0.906 . . . . 0.0 110.551 -174.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -81.02 -52.07 7.81 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 170.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.4 -60.88 3.92 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.306 -0.871 . . . . 0.0 115.17 -161.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.24 117.85 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.328 -1.101 . . . . 0.0 108.489 163.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.55 151.47 26.41 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.225 -0.922 . . . . 0.0 111.869 162.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.399 0 O-C-N 121.188 -0.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.396 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.18 76.58 1.53 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.449 -0.782 . . . . 0.0 110.01 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -139.5 100.18 3.91 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.255 -0.903 . . . . 0.0 112.447 -175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 4.6 mt-10 -63.27 -19.62 64.73 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.224 -0.922 . . . . 0.0 112.189 163.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.44 -34.79 72.88 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.741 -1.224 . . . . 0.0 113.837 -154.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.618 ' HG2' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.88 -48.14 82.47 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 166.338 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.618 HD22 ' HG2' ' A' ' 6' ' ' GLU . 2.4 mt -78.07 -17.53 56.89 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.277 1.031 . . . . 0.0 111.736 -174.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -53.04 10.82 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 164.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -44.23 -49.39 9.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 113.307 164.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.546 ' O ' ' HD2' ' A' ' 14' ' ' PHE . . . -72.1 -36.89 69.59 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.602 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 89.8 t80 -69.77 -33.01 71.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.273 -0.892 . . . . 0.0 112.251 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.55 -39.85 30.9 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.084 -1.01 . . . . 0.0 112.888 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -59.96 -35.21 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.288 -0.883 . . . . 0.0 110.268 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.546 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 19.6 m-85 -66.38 -46.43 76.69 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.263 -0.898 . . . . 0.0 110.471 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -65.83 116.94 7.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.172 -0.955 . . . . 0.0 112.761 -157.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HB3' ' HZ1' ' A' ' 16' ' ' LYS . 4.2 mtpm? -57.33 -39.18 75.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.014 -1.054 . . . . 0.0 109.209 -168.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -129.44 -15.35 4.07 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -157.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.26 46.45 0.43 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -13.51 62.24 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.283 -0.886 . . . . 0.0 112.643 160.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.46 5.3 82.13 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.292 -0.88 . . . . 0.0 115.043 -160.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.6 169.25 9.2 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.326 -1.103 . . . . 0.0 111.624 173.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.815 HG22 ' CD ' ' A' ' 26' ' ' GLU . 5.8 mt -114.8 132.59 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.07 -1.019 . . . . 0.0 110.245 165.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.16 176.91 5.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.114 -0.991 . . . . 0.0 112.717 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.567 HD12 ' HG2' ' B' ' 47' ' ' MET . 3.4 tp -66.78 -32.61 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.17 -0.956 . . . . 0.0 110.238 169.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.61 -18.58 51.26 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -172.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.815 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.45 -46.3 70.17 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 160.575 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.74 -50.86 61.4 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.286 -0.884 . . . . 0.0 111.875 -159.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.19 -56.73 1.14 Allowed Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.113 -0.992 . . . . 0.0 115.151 166.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.71 ' HG3' ' HB1' ' A' ' 33' ' ' ALA . 2.1 tp10 -58.74 -41.94 87.63 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.35 -1.088 . . . . 0.0 113.883 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.1 -55.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.229 -0.92 . . . . 0.0 110.26 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -54.83 -44.14 73.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.92 -1.112 . . . . 0.0 111.329 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 1.3 tpt180 -82.52 -77.45 0.23 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.331 -0.856 . . . . 0.0 110.778 -170.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.71 ' HB1' ' HG3' ' A' ' 29' ' ' GLU . . . -43.22 139.14 1.99 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -170.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -77.04 -14.45 59.82 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.269 -0.894 . . . . 0.0 109.685 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 45.94 -103.4 0.05 OUTLIER Glycine 0 CA--C 1.571 3.579 0 O-C-N 121.268 -0.895 . . . . 0.0 115.09 160.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.41 0 O-C-N 121.252 -1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.329 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.414 HG11 ' OD2' ' B' ' 42' ' ' ASP . 55.6 t 66.36 67.0 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.88 -90.91 0.07 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.237 -0.914 . . . . 0.0 109.697 -163.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -54.1 27.47 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -16.72 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.414 ' OD2' HG11 ' B' ' 38' ' ' VAL . 3.5 m-20 -76.34 -38.55 55.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.19 -0.944 . . . . 0.0 112.674 171.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.78 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.202 -0.936 . . . . 0.0 110.229 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -32.63 74.25 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -81.26 -38.07 27.49 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.192 0.997 . . . . 0.0 112.629 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.52 -47.43 73.12 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 166.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.567 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -73.96 -27.62 61.09 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.014 -1.054 . . . . 0.0 111.983 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -74.88 -26.21 59.5 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.284 -0.885 . . . . 0.0 109.97 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -52.11 44.98 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.936 -1.102 . . . . 0.0 112.473 160.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -69.98 -26.96 64.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.284 -0.885 . . . . 0.0 112.892 -163.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -79.95 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.222 -0.924 . . . . 0.0 112.665 -162.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.08 -149.93 0.32 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.67 -168.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -56.43 -9.46 0.71 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.978 -1.076 . . . . 0.0 113.28 168.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 m120 78.16 108.49 0.07 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.201 -0.937 . . . . 0.0 113.204 154.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.23 -43.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.218 -0.926 . . . . 0.0 112.647 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.56 -53.86 0.07 OUTLIER Glycine 0 CA--C 1.571 3.562 0 O-C-N 121.178 -0.951 . . . . 0.0 115.234 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -113.39 162.41 16.13 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.263 -1.14 . . . . 0.0 113.915 -154.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 1.001 HG22 ' HB2' ' B' ' 62' ' ' GLU . 55.5 mt -108.21 149.33 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -115.33 -178.83 3.47 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 124.179 0.991 . . . . 0.0 112.81 166.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.49 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -63.98 -37.2 86.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.752 -1.218 . . . . 0.0 112.092 -168.109 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -77.69 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.68 0 O-C-N 120.6 -1.312 . . . . 0.0 113.53 163.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 1.001 ' HB2' HG22 ' B' ' 58' ' ' ILE . 49.7 mm-40 -34.07 -42.59 0.13 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.602 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -54.73 -45.96 74.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.723 -1.235 . . . . 0.0 111.974 177.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.548 ' CD2' HD11 ' A' ' 7' ' ' LEU . 51.8 mt -64.09 -43.44 95.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.268 -0.895 . . . . 0.0 111.8 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -20.13 25.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 -171.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.472 ' HE3' HD12 ' B' ' 58' ' ' ILE . 1.2 ttm -68.98 -47.39 65.7 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 163.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 24.1 ttm -59.82 -47.01 87.45 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.219 -0.925 . . . . 0.0 110.541 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.36 -71.76 0.25 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.11 25.36 69.49 Favored Glycine 0 CA--C 1.571 3.586 0 O-C-N 121.215 -0.928 . . . . 0.0 115.105 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.46 115.84 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.248 -1.149 . . . . 0.0 108.51 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -59.63 -45.63 91.42 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.281 -0.887 . . . . 0.0 111.749 -171.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.489 0 O-C-N 120.967 -1.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -164.77 93.6 0.65 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 123.669 0.788 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.26 93.99 2.64 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.999 0.92 . . . . 0.0 112.478 -160.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.2 pt-20 -108.83 -31.9 7.51 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.283 -0.885 . . . . 0.0 111.884 -174.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.05 -57.69 11.08 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -163.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.6 -22.45 62.54 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.791 HD11 HD22 ' B' ' 64' ' ' LEU . 4.4 mt -87.85 -21.42 25.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 111.766 174.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.7 -51.58 18.75 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 165.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -51.03 -42.82 60.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.236 -0.915 . . . . 0.0 113.212 163.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -68.96 -38.65 79.55 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 177.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.853 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 45.3 t80 -75.38 -33.4 61.01 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.247 -0.908 . . . . 0.0 112.196 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.33 -62.5 1.68 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.149 -0.97 . . . . 0.0 112.925 158.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -59.49 -30.35 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 -165.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.855 ' CE2' HG23 ' A' ' 30' ' ' ILE . 5.7 m-30 -57.16 -58.17 9.37 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 124.022 0.929 . . . . 0.0 110.465 170.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.53 134.89 46.79 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 112.812 -168.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG2' ' OE1' ' A' ' 26' ' ' GLU . 3.0 mmmm -82.12 -38.1 25.29 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.124 -0.985 . . . . 0.0 109.391 -168.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -108.83 -21.15 12.8 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 77.51 43.22 0.11 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 161.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.88 -15.62 61.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.199 -0.938 . . . . 0.0 112.804 157.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.96 20.54 46.14 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.073 -1.017 . . . . 0.0 115.111 -175.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.3 161.26 20.73 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.288 -1.125 . . . . 0.0 111.713 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.46 161.11 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.236 -0.915 . . . . 0.0 110.282 165.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -120.53 163.87 17.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.093 -1.004 . . . . 0.0 112.644 169.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.756 HD12 ' CG ' ' B' ' 47' ' ' MET . 0.2 OUTLIER -57.51 -36.3 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.308 -0.87 . . . . 0.0 110.154 175.025 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.29 -33.34 69.63 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.659 ' O ' HD13 ' A' ' 30' ' ' ILE . 18.6 mt-10 -77.84 -37.53 48.24 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 173.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.766 HD22 HG22 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -43.92 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.224 -0.922 . . . . 0.0 111.903 -179.021 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.74 -40.72 6.78 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.114 -0.991 . . . . 0.0 115.153 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.53 -29.92 56.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.273 -1.133 . . . . 0.0 113.884 -177.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.855 HG23 ' CE2' ' A' ' 14' ' ' PHE . 6.0 mt -52.94 -64.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.25 -0.906 . . . . 0.0 110.199 161.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.54 -47.54 63.37 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 121.089 -1.007 . . . . 0.0 111.403 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -31.96 14.93 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -164.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -89.04 149.38 23.26 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -135.29 95.06 3.21 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.231 -0.918 . . . . 0.0 109.865 -165.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.05 -174.2 26.19 Favored Glycine 0 CA--C 1.571 3.579 0 O-C-N 121.23 -0.919 . . . . 0.0 115.097 -169.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.23 -1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.95 92.31 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.5 -169.31 2.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.211 -0.931 . . . . 0.0 109.715 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.24 -48.81 55.33 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 169.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -33.36 71.62 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.17 -41.11 50.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.185 -0.947 . . . . 0.0 112.647 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.766 HG22 HD22 ' A' ' 27' ' ' LEU . 6.0 mt -52.31 -51.61 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.11 -0.994 . . . . 0.0 110.134 170.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -36.13 79.37 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.52 -32.56 72.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.31 -0.869 . . . . 0.0 112.683 173.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.59 -45.98 91.82 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 164.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.756 ' CG ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -82.88 -3.69 57.2 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.128 -0.982 . . . . 0.0 112.181 -176.238 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 -45.16 7.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.211 -0.931 . . . . 0.0 109.854 162.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.44 -40.57 85.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.599 -0.688 . . . . 0.0 112.449 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -79.63 -15.9 56.78 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.323 -0.861 . . . . 0.0 112.959 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.65 -176.34 1.93 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.147 -0.971 . . . . 0.0 112.701 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 -124.17 0.09 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.161 -0.962 . . . . 0.0 109.892 -162.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -77.73 19.41 0.39 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 m120 79.54 36.74 0.14 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.277 1.031 . . . . 0.0 113.149 156.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 64.21 8.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.25 -0.906 . . . . 0.0 112.481 154.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -40.91 -37.72 1.46 Allowed Glycine 0 CA--C 1.572 3.604 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 -160.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.47 136.21 55.36 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.177 -1.19 . . . . 0.0 113.783 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.787 HG22 ' CB ' ' B' ' 62' ' ' GLU . 63.0 mt -103.19 152.39 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.156 -0.965 . . . . 0.0 110.156 -155.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.73 -174.75 2.75 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.126 -0.984 . . . . 0.0 112.745 169.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -47.79 82.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.95 -1.094 . . . . 0.0 112.183 -164.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -77.72 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.779 0 O-C-N 120.953 -1.092 . . . . 0.0 113.843 166.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.787 ' CB ' HG22 ' B' ' 58' ' ' ILE . 0.8 OUTLIER -26.82 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.68 1.192 . . . . 0.0 113.778 172.098 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.853 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 1.8 t80 -55.68 -55.13 35.84 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.408 -0.807 . . . . 0.0 112.309 176.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.791 HD22 HD11 ' A' ' 7' ' ' LEU . 30.6 mt -57.37 -33.36 67.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.206 -0.934 . . . . 0.0 111.771 -173.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -40.27 15.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 176.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.75 ' HE3' HD11 ' A' ' 27' ' ' LEU . 3.9 tmm? -57.44 -20.44 30.36 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 172.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.55 ' CE ' HD12 ' A' ' 7' ' ' LEU . 7.7 ttp -97.0 -45.52 6.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.234 -0.916 . . . . 0.0 110.545 174.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.49 -33.86 54.37 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.76 -170.21 4.0 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.201 -0.937 . . . . 0.0 115.106 -170.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.33 147.27 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.227 -1.16 . . . . 0.0 108.513 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.05 137.71 55.24 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.129 -0.982 . . . . 0.0 111.983 163.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.381 0 O-C-N 121.279 -0.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -145.77 173.0 12.48 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.747 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -54.41 100.69 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.314 -0.866 . . . . 0.0 112.364 170.17 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 3' ' ' SER 0.257 1.6 mt-10 -154.38 -34.88 0.1 Allowed 'General case' 0 CA--C 1.576 1.944 0 O-C-N 121.28 -0.887 . . . . 0.0 111.972 -166.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -22.15 -61.84 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 125.953 1.701 . . . . 0.0 115.192 -163.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -12.59 33.76 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.929 -1.107 . . . . 0.0 113.941 -164.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.7 mt -86.52 -24.47 25.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.072 -1.017 . . . . 0.0 111.707 164.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.33 70.84 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 163.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.79 -39.38 91.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.201 -0.937 . . . . 0.0 113.313 166.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -61.21 -41.89 97.64 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 87.7 t80 -73.94 -37.19 64.64 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 112.05 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.816 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -71.51 -40.16 70.31 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.286 -0.884 . . . . 0.0 112.959 170.173 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.4 -29.95 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.148 -0.97 . . . . 0.0 110.304 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.7 ' HD1' HD13 ' A' ' 30' ' ' ILE . 2.4 m-30 -68.39 -43.55 77.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.259 -0.9 . . . . 0.0 110.347 174.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -70.7 107.09 3.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.162 -0.961 . . . . 0.0 112.84 -166.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.12 20.08 6.25 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.181 -0.949 . . . . 0.0 110.192 -172.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.48 -19.08 0.48 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.28 45.09 3.02 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 159.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.07 -22.64 42.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.2 -0.937 . . . . 0.0 112.612 154.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.74 -19.56 4.71 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.23 -0.919 . . . . 0.0 115.342 -171.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -105.85 167.75 9.57 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.272 -1.134 . . . . 0.0 111.749 -157.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.524 HG22 ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -101.22 128.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -0.916 . . . . 0.0 110.262 158.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -110.82 177.58 4.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.153 -0.967 . . . . 0.0 112.758 -168.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.11 -31.39 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.18 -0.95 . . . . 0.0 110.293 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -29.41 54.43 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.34 -50.78 43.18 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD21 HD22 ' A' ' 31' ' ' LEU . 1.8 tm? -38.68 -55.49 1.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.409 1.484 . . . . 0.0 112.102 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.87 -36.99 12.16 Favored Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.094 -1.004 . . . . 0.0 115.095 -167.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.64 -45.6 89.47 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.191 -1.182 . . . . 0.0 113.881 169.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.7 HD13 ' HD1' ' A' ' 14' ' ' PHE . 1.4 mm -62.33 -65.43 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.153 -0.967 . . . . 0.0 110.274 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD22 HD21 ' A' ' 27' ' ' LEU . 3.3 pp -49.48 -22.86 1.32 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.217 -0.927 . . . . 0.0 111.539 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -84.18 -81.45 0.18 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.249 -0.907 . . . . 0.0 110.796 166.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.92 -159.39 0.21 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -160.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -149.57 152.54 35.68 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 124.328 1.051 . . . . 0.0 109.837 173.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.02 -75.59 0.05 OUTLIER Glycine 0 CA--C 1.572 3.613 0 O-C-N 121.211 -0.93 . . . . 0.0 115.104 164.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.414 0 O-C-N 121.23 -1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 60.84 81.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.48 HG21 ' OD2' ' B' ' 42' ' ' ASP . 0.5 OUTLIER -81.21 156.08 25.83 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.196 -0.94 . . . . 0.0 109.668 -172.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.56 -40.43 42.48 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.3 -25.7 64.36 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.48 ' OD2' HG21 ' B' ' 39' ' ' THR . 60.6 m-20 -50.6 -60.95 2.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.188 -0.945 . . . . 0.0 112.615 162.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.37 -41.19 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.017 -1.052 . . . . 0.0 110.283 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -36.03 60.3 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -171.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.04 -26.58 65.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.314 -0.866 . . . . 0.0 112.66 166.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 tp -74.73 -46.35 37.97 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 172.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.769 ' HE1' HD13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -69.19 -9.02 50.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.053 -1.029 . . . . 0.0 112.051 169.351 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -91.51 -27.89 17.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.296 -0.878 . . . . 0.0 110.26 168.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -67.03 -57.74 6.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.114 -0.991 . . . . 0.0 112.388 171.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.6 m -67.79 -38.42 83.33 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.157 -0.965 . . . . 0.0 112.905 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.02 149.45 46.59 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.193 -0.942 . . . . 0.0 112.678 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -109.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.116 -0.99 . . . . 0.0 110.036 159.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -71.9 -20.33 61.8 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.881 -1.137 . . . . 0.0 113.426 -154.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 m120 63.95 72.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.214 -0.929 . . . . 0.0 113.274 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 8.18 37.88 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.235 -0.916 . . . . 0.0 112.899 157.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.35 -6.54 55.85 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 120.532 -1.355 . . . . 0.0 115.383 162.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -157.29 141.65 16.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.05 -1.265 . . . . 0.0 113.851 -164.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.928 HG22 ' HB2' ' B' ' 62' ' ' GLU . 73.9 mt -108.53 126.41 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.141 -0.974 . . . . 0.0 110.191 -163.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -98.65 176.86 5.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.082 -1.011 . . . . 0.0 112.759 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.573 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 67.1 t80 -65.17 -33.76 76.77 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.993 -1.067 . . . . 0.0 112.029 -161.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.677 0 O-C-N 120.66 -1.275 . . . . 0.0 113.541 159.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.928 ' HB2' HG22 ' B' ' 58' ' ' ILE . 24.9 mt-10 -44.41 -20.46 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.778 ' HD1' ' HE3' ' B' ' 66' ' ' MET . 6.2 t80 -63.4 -58.03 8.38 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.728 -1.858 . . . . 0.0 112.023 163.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.95 -23.05 51.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.23 -0.919 . . . . 0.0 111.705 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -92.17 -35.14 14.01 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.182 -0.949 . . . . 0.0 109.475 172.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.778 ' HE3' ' HD1' ' B' ' 63' ' ' PHE . 3.9 ttt -59.86 -12.71 8.13 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 169.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.484 ' CE ' HD22 ' A' ' 7' ' ' LEU . 3.8 mtt -87.6 -54.75 4.11 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.998 0.919 . . . . 0.0 110.562 154.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.18 -13.12 53.64 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -156.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.42 -95.98 0.02 OUTLIER Glycine 0 CA--C 1.571 3.541 0 O-C-N 121.256 -0.903 . . . . 0.0 115.152 -168.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.82 103.32 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.187 -1.184 . . . . 0.0 108.533 -158.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -150.52 -91.17 0.06 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.195 -0.941 . . . . 0.0 112.066 -163.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.407 0 O-C-N 121.18 -0.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.352 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.54 108.6 0.08 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.487 -0.758 . . . . 0.0 110.039 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.6 -154.13 0.53 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.283 -0.886 . . . . 0.0 112.427 -155.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.255 3.0 mp0 -137.07 24.45 3.02 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.231 -0.918 . . . . 0.0 111.771 -161.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.24 -62.19 1.79 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -160.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.52 -21.43 18.88 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.41 -25.45 62.34 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.241 1.017 . . . . 0.0 111.823 163.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -50.7 17.9 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -46.1 -46.65 17.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.216 -0.928 . . . . 0.0 113.309 161.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.13 61.45 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.817 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 67.7 t80 -70.01 -32.19 70.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.344 -0.848 . . . . 0.0 112.023 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -39.31 61.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.021 0.928 . . . . 0.0 112.99 168.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -56.65 -37.54 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.102 -0.999 . . . . 0.0 110.269 174.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.622 ' CD2' ' HE1' ' B' ' 63' ' ' PHE . 2.6 m-30 -62.78 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.259 -0.901 . . . . 0.0 110.385 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -48.86 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.207 -0.933 . . . . 0.0 112.85 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 22.32 0.81 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.147 -0.97 . . . . 0.0 109.755 -163.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.04 -33.4 0.29 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 82.03 55.51 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 154.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -72.81 -6.18 43.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.214 -0.929 . . . . 0.0 112.944 154.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.36 10.6 44.29 Favored Glycine 0 CA--C 1.572 3.62 0 O-C-N 120.682 -1.261 . . . . 0.0 115.356 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -113.98 165.62 12.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.093 -1.239 . . . . 0.0 111.614 175.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.62 161.23 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 C-N-CA 124.269 1.027 . . . . 0.0 110.222 161.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -135.37 166.64 22.69 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 112.723 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.18 -27.12 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.288 -0.883 . . . . 0.0 110.278 -173.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.52 -36.19 78.53 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.087 -1.008 . . . . 0.0 113.695 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' O ' HD11 ' A' ' 30' ' ' ILE . 76.1 mt-10 -71.42 -23.86 61.93 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 175.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.984 HD22 HG22 ' B' ' 43' ' ' ILE . 8.2 tp -59.9 -34.35 73.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.165 -0.96 . . . . 0.0 111.923 -170.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.25 -27.59 36.2 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.095 -1.003 . . . . 0.0 115.074 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.505 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -79.78 -40.36 28.85 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.271 -1.134 . . . . 0.0 113.862 171.017 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -41.36 -63.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.01 -1.057 . . . . 0.0 110.11 159.261 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 31' ' ' LEU . 1.5 pp -80.96 -12.92 59.3 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.724 -165.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.57 32.82 5.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.211 -0.931 . . . . 0.0 110.831 172.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.505 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -90.26 163.16 14.88 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 165.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.5 m -134.66 93.81 3.09 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.21 -0.931 . . . . 0.0 109.887 164.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.69 116.52 0.72 Allowed Glycine 0 CA--C 1.572 3.619 0 O-C-N 121.181 -0.949 . . . . 0.0 115.105 166.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.406 0 O-C-N 121.264 -1.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.371 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 6.8 p -160.87 123.41 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.64 ' HG1' ' HB2' ' B' ' 41' ' ' GLU . 0.1 OUTLIER -142.99 -163.58 1.66 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.181 -0.95 . . . . 0.0 109.725 161.768 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -15.78 13.98 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 155.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.64 ' HB2' ' HG1' ' B' ' 39' ' ' THR . 0.6 OUTLIER -63.89 -34.48 78.05 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.18 -37.67 32.81 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.258 -0.901 . . . . 0.0 112.668 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.984 HG22 HD22 ' A' ' 27' ' ' LEU . 3.6 mm -58.84 -45.99 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.166 -0.959 . . . . 0.0 110.189 168.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -37.8 86.5 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -175.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' B' ' 48' ' ' LYS . 1.2 m-20 -70.73 -34.86 72.34 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.872 0.869 . . . . 0.0 112.664 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.665 HD23 HD23 ' A' ' 27' ' ' LEU . 8.1 tt -56.67 -48.24 78.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.526 ' HE3' HG13 ' B' ' 58' ' ' ILE . 5.8 ttt -99.09 15.26 26.46 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.874 -1.142 . . . . 0.0 112.116 -171.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -102.13 -34.43 9.29 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.982 0.913 . . . . 0.0 109.97 156.106 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.21 -40.58 86.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.639 -0.663 . . . . 0.0 112.489 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.71 -33.01 20.15 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 112.887 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -82.56 106.59 14.54 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.189 -0.945 . . . . 0.0 112.687 -157.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.64 26.6 8.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 155.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -81.22 18.75 1.03 Allowed 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 162.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m120 62.51 105.9 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 124.25 1.02 . . . . 0.0 113.022 -167.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -18.21 33.98 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.284 1.034 . . . . 0.0 112.767 -154.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -41.2 -57.53 3.05 Favored Glycine 0 CA--C 1.571 3.578 0 O-C-N 121.189 -0.944 . . . . 0.0 115.11 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -162.57 154.13 18.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.226 -1.161 . . . . 0.0 114.122 -167.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.914 HG22 ' HB2' ' B' ' 62' ' ' GLU . 14.7 mt -106.48 161.74 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 124.199 1.0 . . . . 0.0 110.249 -178.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -137.8 -175.22 4.01 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.014 -1.054 . . . . 0.0 112.837 172.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.463 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -64.46 -30.68 71.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.774 -1.204 . . . . 0.0 112.066 -162.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -48.05 -84.09 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 125.016 2.341 . . . . 0.0 111.245 167.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.914 ' HB2' HG22 ' B' ' 58' ' ' ILE . 17.5 mm-40 -26.35 -35.49 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 113.818 -1.537 . . . . 0.0 113.845 167.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.817 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 55.1 t80 -59.29 -55.96 28.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.991 -1.068 . . . . 0.0 111.691 173.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.6 mt -50.44 -40.08 49.46 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.651 1.18 . . . . 0.0 111.8 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.91 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -84.26 -33.18 24.09 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.982 -1.074 . . . . 0.0 109.423 -170.354 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.3 ttp -81.85 -23.89 36.12 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptm -89.2 -28.74 19.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.253 -0.904 . . . . 0.0 110.585 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -89.22 -32.14 17.57 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.94 93.69 1.28 Allowed Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.061 -1.024 . . . . 0.0 115.113 160.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -95.4 -172.84 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.227 -1.161 . . . . 0.0 108.535 172.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -29.78 -87.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.272 -0.892 . . . . 0.0 111.977 158.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.414 0 O-C-N 121.176 -0.952 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.323 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -78.6 106.17 10.39 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.519 -0.738 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -77.58 113.34 15.31 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.298 -0.876 . . . . 0.0 112.387 -171.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 1.9 mt-10 -80.14 -24.69 40.26 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.221 -0.924 . . . . 0.0 111.95 -170.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -56.65 5.7 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -156.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.09 -50.07 72.05 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -37.54 49.42 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.216 -0.927 . . . . 0.0 111.691 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -60.27 2.33 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -41.9 -48.84 4.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.318 -0.864 . . . . 0.0 113.293 169.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.81 84.5 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.462 ' HE2' ' O ' ' A' ' 20' ' ' GLY . 74.0 t80 -71.58 -30.67 66.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.294 -0.879 . . . . 0.0 112.138 -175.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -77.11 -38.48 52.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 112.929 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.28 -27.03 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.281 -0.887 . . . . 0.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -76.7 -47.78 20.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.285 -0.885 . . . . 0.0 110.396 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -73.24 96.11 2.22 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.219 -0.925 . . . . 0.0 112.837 -165.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 26.07 4.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.192 -0.942 . . . . 0.0 109.528 -168.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -129.43 -37.86 1.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.94 41.03 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 154.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.48 -23.6 67.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.209 -0.932 . . . . 0.0 112.658 155.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 11' ' ' PHE . . . 135.1 -40.18 1.59 Allowed Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.235 -0.916 . . . . 0.0 115.213 -166.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.37 162.63 31.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.351 -1.088 . . . . 0.0 111.788 -160.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -104.5 148.96 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.873 1.269 . . . . 0.0 110.215 -165.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -127.13 164.76 20.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.101 -0.999 . . . . 0.0 112.73 -177.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -23.1 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.297 -0.877 . . . . 0.0 110.299 -175.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.12 -36.92 55.14 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 171.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.695 ' O ' HD11 ' A' ' 30' ' ' ILE . 78.2 mt-10 -68.63 -25.28 64.77 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 27' ' ' LEU . 2.5 tm? -65.07 -58.6 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.216 -0.928 . . . . 0.0 111.833 -170.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.67 -37.21 33.65 Favored Glycine 0 CA--C 1.571 3.594 0 O-C-N 121.118 -0.988 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.647 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 10.3 mt-10 -79.55 -22.24 44.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.233 -1.157 . . . . 0.0 113.881 -177.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.695 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.53 -67.01 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -0.959 . . . . 0.0 110.23 155.385 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.61 HD23 HG12 ' B' ' 43' ' ' ILE . 3.7 pp -69.48 -20.01 63.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.099 -1.001 . . . . 0.0 111.75 -167.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.582 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -129.89 27.33 5.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.166 -0.959 . . . . 0.0 110.841 178.464 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.647 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -51.62 -85.67 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 165.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 p -89.56 142.74 27.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.216 -0.928 . . . . 0.0 109.716 -173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -107.24 -137.62 8.53 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.254 -0.904 . . . . 0.0 115.088 166.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.241 -1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.342 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p 41.07 84.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 19.8 p -115.01 -166.94 1.16 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.191 -0.943 . . . . 0.0 109.748 -168.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -77.47 -23.92 50.31 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -170.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -19.62 64.83 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 172.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -72.03 -43.76 64.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.243 -0.911 . . . . 0.0 112.686 166.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.61 HG12 HD23 ' A' ' 31' ' ' LEU . 2.0 mp -53.05 -55.52 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.043 -1.036 . . . . 0.0 110.124 169.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -36.27 83.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.076 -1.015 . . . . 0.0 113.723 -173.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.74 -36.58 84.35 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.292 -0.88 . . . . 0.0 112.683 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.84 -46.15 72.61 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.717 ' C ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -83.96 -18.74 36.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.053 -1.029 . . . . 0.0 112.1 -174.415 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.717 ' HE3' ' C ' ' B' ' 47' ' ' MET . 0.0 OUTLIER -84.69 -39.13 18.92 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 109.81 173.45 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.535 -0.728 . . . . 0.0 112.465 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 32.2 t -65.34 -58.35 6.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.25 -0.906 . . . . 0.0 112.884 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.18 154.06 13.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.24 -0.912 . . . . 0.0 112.648 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' B' ' 52' ' ' LYS . 0.1 OUTLIER -95.76 -122.89 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.209 -0.932 . . . . 0.0 109.939 -177.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -70.2 5.99 1.47 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.024 -1.048 . . . . 0.0 113.546 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 67.79 81.73 0.19 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.88 -1.137 . . . . 0.0 113.252 165.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.97 -38.78 22.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.211 -0.931 . . . . 0.0 112.652 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.85 7.9 0.7 Allowed Glycine 0 CA--C 1.571 3.57 0 O-C-N 121.211 -0.931 . . . . 0.0 115.366 159.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.4 167.07 22.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.209 -1.171 . . . . 0.0 114.046 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.693 HD11 ' HE1' ' B' ' 47' ' ' MET . 73.4 mt -114.44 129.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.096 0.958 . . . . 0.0 110.29 160.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -120.96 175.78 5.89 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.309 -1.494 . . . . 0.0 112.794 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.09 -33.77 69.44 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.76 -1.213 . . . . 0.0 111.992 -155.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -78.24 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 O-C-N 120.779 -1.201 . . . . 0.0 113.702 161.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.681 ' HB2' HG22 ' B' ' 58' ' ' ILE . 5.9 mt-10 -35.64 -30.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.834 ' HD1' ' HE2' ' B' ' 66' ' ' MET . 22.1 t80 -62.44 -50.55 71.05 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.35 -1.469 . . . . 0.0 111.848 172.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.45 -23.83 67.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.294 -0.879 . . . . 0.0 111.809 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -87.35 -53.54 4.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.148 -0.97 . . . . 0.0 109.357 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.834 ' HE2' ' HD1' ' B' ' 63' ' ' PHE . 0.9 OUTLIER -41.05 -42.06 1.85 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 177.482 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 32.9 ttm -96.91 -52.47 3.86 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.29 -0.881 . . . . 0.0 110.611 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -127.43 34.46 4.69 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -165.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.58 169.74 40.65 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.295 -0.878 . . . . 0.0 115.116 163.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -86.27 160.73 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.271 -1.135 . . . . 0.0 108.527 -162.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -146.92 -92.23 0.09 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.293 -0.88 . . . . 0.0 112.02 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.217 -0.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.391 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.4 92.04 8.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.479 -0.763 . . . . 0.0 110.034 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.72 158.45 26.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.183 -0.948 . . . . 0.0 112.532 177.699 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 26.9 mp0 -132.28 26.81 4.49 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.266 -0.896 . . . . 0.0 111.791 -179.289 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.76 -55.86 29.59 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 1.6 mm-40 -91.27 -21.78 20.9 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.446 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 2.5 mt -81.52 -22.09 38.16 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.075 0.95 . . . . 0.0 111.709 169.258 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.67 29.79 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 167.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -54.77 -38.14 66.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.262 -0.899 . . . . 0.0 113.268 158.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.618 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -75.33 -47.65 26.77 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.802 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 52.3 t80 -65.85 -34.93 79.27 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 123.698 0.799 . . . . 0.0 112.143 175.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -66.9 -48.34 69.01 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.296 1.038 . . . . 0.0 112.952 170.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -67.91 -32.14 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 C-N-CA 124.173 0.989 . . . . 0.0 110.288 -169.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.39 -62.97 1.39 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 165.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -47.65 144.43 3.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.099 -1.001 . . . . 0.0 112.822 -169.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -119.4 38.92 3.73 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.095 -1.003 . . . . 0.0 109.206 -173.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.13 -26.71 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 170.001 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.86 40.43 0.19 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 160.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -93.09 9.59 35.22 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.264 -0.897 . . . . 0.0 112.84 156.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 23.31 60.79 Favored Glycine 0 CA--C 1.572 3.619 0 O-C-N 120.928 -1.107 . . . . 0.0 115.067 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -114.14 168.87 9.45 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.185 -1.185 . . . . 0.0 111.702 169.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.679 HG22 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -131.94 116.32 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 C-N-CA 124.303 1.041 . . . . 0.0 110.213 174.731 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.06 162.27 13.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.921 -1.112 . . . . 0.0 112.72 -168.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 6.4 tt -51.98 -32.34 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.0 110.052 168.775 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.35 -19.62 56.03 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.679 ' HG2' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.82 -49.37 62.61 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 164.143 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' HG ' HD22 ' A' ' 31' ' ' LEU . 5.9 tp -42.03 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.648 1.579 . . . . 0.0 112.099 -169.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.31 -39.73 7.42 Favored Glycine 0 CA--C 1.571 3.577 0 O-C-N 121.143 -0.973 . . . . 0.0 115.155 -162.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.86 -34.99 44.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.273 -1.134 . . . . 0.0 113.9 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mm -50.6 -72.66 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.172 159.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.488 HD13 ' N ' ' A' ' 32' ' ' ARG . 3.1 pp -55.33 -27.24 45.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 111.587 -167.369 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.488 ' N ' HD13 ' A' ' 31' ' ' LEU . 8.1 tpm_? -86.29 -73.86 0.44 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.262 -0.899 . . . . 0.0 110.86 178.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.09 -12.52 61.01 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -155.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 m -61.04 114.9 3.35 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.262 -0.899 . . . . 0.0 109.806 -173.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.04 128.63 1.0 Allowed Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.195 -0.94 . . . . 0.0 115.137 -163.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.4 0 O-C-N 121.242 -1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.48 HG13 HD13 ' B' ' 43' ' ' ILE . 19.8 t -83.58 110.22 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.677 ' O ' HD12 ' B' ' 43' ' ' ILE . 23.2 p -106.39 -174.68 2.59 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.224 -0.922 . . . . 0.0 109.766 -179.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -38.39 78.09 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 168.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -68.81 -45.03 72.28 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -56.63 -40.19 74.98 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.204 -0.935 . . . . 0.0 112.671 168.5 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.677 HD12 ' O ' ' B' ' 39' ' ' THR . 1.3 mp -60.13 -61.6 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.228 -0.92 . . . . 0.0 110.179 176.231 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -29.72 70.77 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -172.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -73.31 -29.4 62.67 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.96 0.904 . . . . 0.0 112.703 172.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.14 -47.68 41.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 173.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.548 ' HE3' HG13 ' B' ' 58' ' ' ILE . 15.3 tpt -64.28 -40.36 95.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.027 -1.046 . . . . 0.0 112.109 175.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -23.44 36.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.187 -173.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -67.09 -47.58 70.81 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.614 -1.304 . . . . 0.0 112.501 162.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.1 t -69.41 -35.17 75.49 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.097 -1.002 . . . . 0.0 112.718 -166.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.421 ' HB3' ' ND2' ' B' ' 54' ' ' ASN . 15.8 t0 -74.51 160.78 30.47 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.171 -0.956 . . . . 0.0 112.68 -170.078 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -63.7 -135.79 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.177 -0.952 . . . . 0.0 109.812 162.845 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 6.06 1.42 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.69 -1.256 . . . . 0.0 113.493 -165.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' B' ' 51' ' ' ASP . 1.2 m120 70.93 58.19 0.2 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.849 -1.157 . . . . 0.0 113.265 165.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.14 -55.14 11.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 112.629 159.128 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.01 -24.44 0.25 Allowed Glycine 0 CA--C 1.571 3.587 0 O-C-N 121.216 -0.927 . . . . 0.0 115.135 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.72 157.78 20.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.288 -1.125 . . . . 0.0 113.874 -162.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.819 HG22 ' HB2' ' B' ' 62' ' ' GLU . 80.4 mt -108.52 146.75 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.205 -0.934 . . . . 0.0 110.228 176.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -109.25 -173.8 2.35 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.129 0.972 . . . . 0.0 112.785 174.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.554 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -71.05 -41.24 71.02 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.76 -1.213 . . . . 0.0 112.01 -170.429 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -79.49 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 O-C-N 120.575 -1.328 . . . . 0.0 113.514 162.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.819 ' HB2' HG22 ' B' ' 58' ' ' ILE . 12.9 mt-10 -37.4 -30.43 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.352 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.802 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 58.9 t80 -58.44 -54.96 41.17 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.212 -1.555 . . . . 0.0 111.921 170.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.7 mt -53.86 -34.49 59.53 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 124.031 0.932 . . . . 0.0 111.695 176.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -78.93 -54.21 6.28 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.216 -0.928 . . . . 0.0 109.296 178.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' B' ' 66' ' ' MET . 1.8 ttm -45.91 -20.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 172.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 47.8 ttm -93.35 -71.7 0.64 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.119 -0.988 . . . . 0.0 110.527 175.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.32 -21.76 49.12 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -167.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.44 -92.25 0.01 OUTLIER Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.258 -0.901 . . . . 0.0 115.081 -169.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.1 117.4 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.22 -1.165 . . . . 0.0 108.518 -172.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -94.02 99.06 11.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.203 -0.936 . . . . 0.0 111.969 169.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.26 142.76 29.52 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.495 -0.753 . . . . 0.0 109.998 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.55 42.22 1.23 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.219 -0.925 . . . . 0.0 112.429 178.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.8 OUTLIER -144.04 -34.28 0.39 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.248 -0.908 . . . . 0.0 111.826 -165.295 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.64 -19.76 62.64 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.75 -44.52 9.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -175.707 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD21 HD22 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -0.944 . . . . 0.0 111.703 163.239 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.92 -67.16 0.46 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -37.7 -55.02 1.18 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.98 0.912 . . . . 0.0 113.289 160.149 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -62.34 -42.24 99.22 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -178.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 65.7 t80 -70.36 -33.14 71.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.151 -0.968 . . . . 0.0 112.103 177.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -70.7 -38.28 73.66 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.117 -0.989 . . . . 0.0 112.902 171.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -82.21 -31.61 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.117 -0.99 . . . . 0.0 110.178 -166.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -57.94 -36.83 73.07 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 124.026 0.93 . . . . 0.0 110.471 168.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.71 156.33 37.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.137 -0.977 . . . . 0.0 112.761 -172.075 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -103.85 -66.65 0.94 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.176 -0.952 . . . . 0.0 109.301 162.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -79.67 -40.49 28.95 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 -159.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 82.31 56.43 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 155.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -98.55 22.27 10.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.216 -0.927 . . . . 0.0 112.713 155.575 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.64 9.64 68.58 Favored Glycine 0 CA--C 1.573 3.667 0 O-C-N 121.174 -0.954 . . . . 0.0 115.05 169.065 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 156.98 27.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.331 -1.099 . . . . 0.0 111.679 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.05 139.61 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.227 161.603 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.25 171.06 8.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.175 -0.953 . . . . 0.0 112.713 -171.06 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 tt -72.36 -31.05 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.265 -0.897 . . . . 0.0 110.206 -174.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -31.85 68.85 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.547 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.54 -19.83 57.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 171.057 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD2' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -70.26 -71.98 0.22 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.257 -0.902 . . . . 0.0 111.865 -165.808 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.32 -26.65 0.21 Allowed Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.181 -0.949 . . . . 0.0 115.17 165.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.69 -46.02 20.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.262 -1.14 . . . . 0.0 113.862 -172.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mm -54.62 -57.64 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.229 161.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.547 HD12 ' CD2' ' A' ' 27' ' ' LEU . 2.0 mt -81.7 6.07 16.43 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 121.023 -1.048 . . . . 0.0 111.493 -171.053 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.98 42.13 0.45 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.203 -0.935 . . . . 0.0 110.842 167.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.08 -77.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.1 p -98.65 167.42 10.8 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.226 -0.921 . . . . 0.0 109.776 -165.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.22 -90.08 0.09 OUTLIER Glycine 0 CA--C 1.572 3.61 0 O-C-N 121.171 -0.955 . . . . 0.0 115.089 159.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.202 -1.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.34 93.73 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.29 157.55 44.21 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.182 -0.949 . . . . 0.0 109.71 -166.721 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -37.41 87.36 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 169.035 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -13.08 25.41 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.639 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -79.02 -43.97 23.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.236 -0.915 . . . . 0.0 112.648 175.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.493 HG22 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -59.77 -41.86 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.201 -0.937 . . . . 0.0 110.199 167.434 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.557 ' CD ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -74.89 -30.65 61.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.075 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.25 -28.86 64.46 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.944 0.897 . . . . 0.0 112.755 166.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tp -72.11 -42.89 65.55 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 173.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.72 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 7.5 tpt -92.08 12.05 23.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.156 -0.965 . . . . 0.0 112.107 171.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.557 ' HE3' ' CD ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -91.49 -43.1 9.89 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.28 -0.888 . . . . 0.0 109.907 159.803 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.46 -45.94 74.5 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.509 -0.744 . . . . 0.0 112.469 176.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.8 t -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.295 -0.878 . . . . 0.0 112.89 -177.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 161.57 19.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.259 -0.901 . . . . 0.0 112.656 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -117.6 -119.12 0.31 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.193 -0.942 . . . . 0.0 109.924 -178.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -79.03 20.28 0.49 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 161.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 76.29 41.54 0.21 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.894 1.278 . . . . 0.0 113.169 163.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.97 59.29 4.27 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.432 1.093 . . . . 0.0 112.527 153.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -45.65 -28.52 2.54 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.24 -0.912 . . . . 0.0 115.24 -161.04 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.68 126.1 26.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -1.171 . . . . 0.0 113.838 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.972 HG22 ' HB2' ' B' ' 62' ' ' GLU . 42.9 mt -105.1 148.02 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 124.118 0.967 . . . . 0.0 110.171 -161.387 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -116.99 -173.38 2.39 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.25 1.02 . . . . 0.0 112.839 171.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -58.08 -36.18 72.46 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.91 -1.119 . . . . 0.0 112.128 -171.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.28 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.898 2.285 . . . . 0.0 111.381 173.176 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.972 ' HB2' HG22 ' B' ' 58' ' ' ILE . 4.3 mm-40 -23.96 -38.48 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 125.617 1.567 . . . . 0.0 113.768 166.82 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.573 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 50.4 t80 -61.78 -54.01 48.12 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.337 -0.852 . . . . 0.0 112.063 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.633 HD22 HD21 ' A' ' 7' ' ' LEU . 42.8 mt -55.78 -31.97 63.07 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.095 0.958 . . . . 0.0 111.874 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -85.08 -45.98 11.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.057 -1.027 . . . . 0.0 109.385 178.371 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -56.92 -29.91 63.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.6 ttp -87.18 -71.75 0.55 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.177 -0.952 . . . . 0.0 110.597 165.551 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -26.53 62.0 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -162.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -39.57 108.88 0.1 Allowed Glycine 0 CA--C 1.571 3.568 0 O-C-N 121.163 -0.961 . . . . 0.0 115.098 168.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -95.31 157.0 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.264 -1.139 . . . . 0.0 108.534 -162.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -63.91 149.41 47.21 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.157 -0.964 . . . . 0.0 111.962 167.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.438 0 O-C-N 121.196 -0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.64 105.18 1.41 Allowed 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.923 0.889 . . . . 0.0 110.02 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.19 7.04 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.311 -0.868 . . . . 0.0 112.361 174.386 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 24.5 tt0 -157.36 -44.37 0.07 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.236 -0.915 . . . . 0.0 111.802 -168.19 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 7.4 tt0 -45.73 -62.97 1.08 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -170.084 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.64 -13.81 44.49 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -164.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.744 HD12 ' HE3' ' B' ' 67' ' ' MET . 0.1 OUTLIER -77.75 -28.21 50.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 111.721 162.454 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -66.89 -61.19 2.07 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -43.39 -46.4 6.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.238 165.214 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -60.55 -36.15 77.77 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.696 ' HD1' HD13 ' A' ' 22' ' ' ILE . 13.1 t80 -71.33 -32.87 69.1 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.204 -0.935 . . . . 0.0 112.121 -176.547 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.06 -33.46 38.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.172 -0.955 . . . . 0.0 112.924 169.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -68.51 -33.86 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.165 0.986 . . . . 0.0 110.249 -175.255 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.756 ' HE2' HG23 ' A' ' 30' ' ' ILE . 23.5 m-85 -56.59 -53.05 62.12 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 159.509 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -71.02 142.04 50.93 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.14 -0.975 . . . . 0.0 112.753 -161.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.93 -57.08 10.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.089 -1.007 . . . . 0.0 109.161 -173.718 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -131.91 7.21 4.35 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -163.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.44 52.96 2.23 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 157.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -86.74 -8.54 57.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.237 -0.914 . . . . 0.0 112.748 164.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.68 -19.33 7.5 Favored Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.118 -0.989 . . . . 0.0 115.244 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -112.43 161.35 16.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.253 -1.146 . . . . 0.0 111.738 -163.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.757 HG22 ' CD ' ' A' ' 26' ' ' GLU . 92.5 mt -120.13 131.43 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.149 -0.97 . . . . 0.0 110.275 165.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -110.09 176.39 5.07 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 112.767 -166.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -27.6 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.144 -0.972 . . . . 0.0 110.255 171.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -70.22 -37.16 74.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.942 -1.099 . . . . 0.0 113.716 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.757 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -74.17 -49.78 22.11 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.682 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD21 HG22 ' B' ' 43' ' ' ILE . 8.1 tt -46.86 -58.09 4.27 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 125.333 1.453 . . . . 0.0 111.952 -170.295 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.95 -35.54 32.52 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.108 -0.995 . . . . 0.0 115.072 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -80.56 -28.42 37.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.263 -1.14 . . . . 0.0 113.877 177.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.756 HG23 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -54.83 -63.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.27 -0.894 . . . . 0.0 110.196 165.055 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' CD1' HD13 ' B' ' 43' ' ' ILE . 1.7 mt -53.75 -43.41 69.11 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 121.082 -1.012 . . . . 0.0 111.296 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -85.18 -57.9 2.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.443 -0.786 . . . . 0.0 110.836 -171.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.25 -2.3 34.15 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 -159.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.16 157.82 43.29 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.291 -0.881 . . . . 0.0 109.861 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.55 36.56 5.83 Favored Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.238 -0.913 . . . . 0.0 115.125 165.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.423 0 O-C-N 121.232 -1.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.35 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -156.71 102.11 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.1 170.12 8.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.208 -0.933 . . . . 0.0 109.749 -170.3 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.12 -24.49 67.71 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 163.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -66.34 -38.0 86.62 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.15 -43.07 75.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.168 -0.958 . . . . 0.0 112.62 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.505 HG22 HD21 ' A' ' 27' ' ' LEU . 1.7 mp -63.18 -52.3 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.173 -0.954 . . . . 0.0 110.24 172.81 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -40.42 96.19 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -63.92 -44.19 93.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.33 -0.856 . . . . 0.0 112.683 174.596 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . 0.405 ' HA ' HD21 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -71.64 -49.32 41.1 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -176.732 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.557 ' HE3' HG13 ' B' ' 58' ' ' ILE . 1.9 tpt -65.38 -43.87 89.35 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.943 -1.098 . . . . 0.0 112.078 179.831 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.23 -19.8 29.43 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.324 -0.86 . . . . 0.0 110.313 -169.696 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.9 -53.51 31.37 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.509 -1.37 . . . . 0.0 112.45 159.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -64.66 -16.73 63.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.271 -0.893 . . . . 0.0 112.881 -178.191 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.51 149.67 42.11 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.13 -0.981 . . . . 0.0 112.612 -174.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -142.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.134 -0.979 . . . . 0.0 110.081 156.452 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -74.78 13.21 0.67 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.977 -1.077 . . . . 0.0 113.468 -162.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 75.48 35.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.02 -1.05 . . . . 0.0 113.215 159.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.5 54.33 1.89 Allowed 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.25 1.02 . . . . 0.0 112.616 154.454 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.85 74.84 0.28 Allowed Glycine 0 CA--C 1.572 3.634 0 O-C-N 121.171 -0.956 . . . . 0.0 115.106 -162.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -42.12 154.58 0.05 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.29 -1.124 . . . . 0.0 113.879 165.306 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 1.033 HG22 ' HB2' ' B' ' 62' ' ' GLU . 23.1 mt -94.95 145.04 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.464 1.106 . . . . 0.0 110.234 -161.22 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.52 -174.57 2.59 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.13 0.972 . . . . 0.0 112.829 173.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.62 -35.15 78.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.86 -1.15 . . . . 0.0 111.925 -169.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -83.98 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 125.031 2.348 . . . . 0.0 111.363 168.724 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 1.033 ' HB2' HG22 ' B' ' 58' ' ' ILE . 4.5 mm-40 -25.74 -35.63 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 CA-C-N 113.847 -1.524 . . . . 0.0 113.865 166.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.638 ' HD2' ' CD1' ' A' ' 11' ' ' PHE . 1.9 t80 -62.72 -55.23 28.55 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.032 -1.042 . . . . 0.0 112.015 173.569 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.5 -38.27 71.55 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 123.906 0.882 . . . . 0.0 111.824 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -24.06 34.4 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.079 -1.013 . . . . 0.0 109.369 -176.693 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.8 ttp -71.13 -43.84 66.8 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 177.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.744 ' HE3' HD12 ' A' ' 7' ' ' LEU . 7.0 ptt? -113.09 15.06 19.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.035 -1.041 . . . . 0.0 110.653 -176.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -119.67 -43.13 2.59 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.761 1.225 . . . . 0.0 113.924 157.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.16 89.14 1.61 Allowed Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.092 -1.005 . . . . 0.0 115.13 -169.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.91 -175.91 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.268 -1.136 . . . . 0.0 108.518 -172.188 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -52.22 108.97 0.33 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.144 -0.972 . . . . 0.0 111.929 175.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.412 0 O-C-N 121.206 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.32 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -55.78 107.72 0.37 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.555 -0.716 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -103.94 112.69 25.78 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.2 -0.937 . . . . 0.0 112.55 -173.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 0.1 OUTLIER -87.06 25.13 1.38 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.335 -0.853 . . . . 0.0 112.062 178.286 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.59 -65.53 0.67 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.63 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.7 -51.39 68.99 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -54.08 49.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.26 -0.9 . . . . 0.0 111.747 -177.186 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' B' ' 60' ' ' PHE . . . -71.67 -39.32 70.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -175.861 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -42.7 -50.49 5.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.278 -0.889 . . . . 0.0 113.241 157.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.82 61.41 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.437 ' HB2' ' CE2' ' B' ' 63' ' ' PHE . 80.7 t80 -76.46 -34.07 58.72 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.271 -0.893 . . . . 0.0 112.143 -178.265 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -70.62 -38.08 73.88 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.248 -0.908 . . . . 0.0 112.914 165.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mm -72.07 -31.56 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -174.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -65.77 -49.73 67.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.333 -0.854 . . . . 0.0 110.479 163.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.77 136.93 56.87 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.164 -0.96 . . . . 0.0 112.746 -162.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.573 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -115.74 -36.32 4.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.108 -0.995 . . . . 0.0 109.228 -162.696 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -95.73 -29.28 14.36 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.09 52.24 0.2 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 168.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.63 -2.48 41.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.295 -0.878 . . . . 0.0 112.703 156.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.64 -18.69 46.81 Favored Glycine 0 CA--C 1.571 3.568 0 O-C-N 121.196 -0.94 . . . . 0.0 115.352 -172.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -113.28 157.37 21.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.259 . . . . 0.0 111.815 -166.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 mt -103.72 132.49 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.122 -0.986 . . . . 0.0 110.259 169.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -108.82 169.36 8.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.121 -0.987 . . . . 0.0 112.711 -173.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -28.73 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.397 -0.814 . . . . 0.0 110.151 177.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -36.63 64.01 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 59.1 mt-10 -71.12 -29.34 65.13 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.475 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 31' ' ' LEU . 2.9 tm? -69.54 -63.15 1.13 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 111.832 -166.381 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -25.89 -84.45 0.01 OUTLIER Glycine 0 CA--C 1.572 3.619 0 O-C-N 121.201 -0.937 . . . . 0.0 115.223 160.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.558 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 5.5 pt-20 -60.28 -20.71 60.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -1.197 . . . . 0.0 113.912 -167.555 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -58.72 -62.02 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.203 -0.936 . . . . 0.0 110.209 163.636 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -54.82 -66.41 0.41 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.08 . . . . 0.0 111.179 170.241 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.796 ' HG2' ' CG2' ' B' ' 38' ' ' VAL . 0.1 OUTLIER -53.61 -50.98 64.5 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.227 -0.92 . . . . 0.0 110.881 -166.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.94 -11.9 9.5 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -158.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -129.53 109.9 11.41 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.321 -0.862 . . . . 0.0 109.859 161.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -163.1 -80.2 0.04 OUTLIER Glycine 0 CA--C 1.572 3.647 0 O-C-N 121.137 -0.977 . . . . 0.0 115.132 -173.622 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.406 0 O-C-N 121.257 -1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.796 ' CG2' ' HG2' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -153.45 146.28 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 . . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.41 HG21 ' H ' ' B' ' 40' ' ' GLU . 1.0 OUTLIER -137.08 154.5 50.31 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.202 -0.936 . . . . 0.0 109.718 -169.23 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.41 ' H ' HG21 ' B' ' 39' ' ' THR . 28.0 mt-10 -61.03 -27.07 68.06 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -158.407 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.04 -39.78 78.97 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.7 -33.35 68.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.197 -0.94 . . . . 0.0 112.678 178.389 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.11 -49.34 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.127 -0.983 . . . . 0.0 110.165 164.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -36.45 81.7 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.06 -41.28 97.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.331 -0.855 . . . . 0.0 112.668 171.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.01 -55.45 32.69 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 170.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.632 ' HE3' HD13 ' B' ' 58' ' ' ILE . 8.7 tpt -82.32 -6.82 59.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.602 -1.311 . . . . 0.0 112.112 -167.827 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -87.53 -43.29 12.13 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.896 . . . . 0.0 109.815 165.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.5 -26.8 66.53 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.566 -0.709 . . . . 0.0 112.427 -177.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -86.06 -40.49 15.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.273 -0.892 . . . . 0.0 112.825 173.345 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -77.33 67.95 3.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.329 -0.857 . . . . 0.0 112.672 -169.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -69.44 -34.94 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.22 -0.925 . . . . 0.0 109.974 -165.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -65.1 -21.98 66.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.309 -0.869 . . . . 0.0 113.264 -176.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 54.58 81.32 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.219 -0.926 . . . . 0.0 113.255 -176.499 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.71 -20.28 2.03 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.565 1.146 . . . . 0.0 112.74 165.931 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.11 59.08 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.011 -1.056 . . . . 0.0 115.09 169.016 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -162.31 151.25 15.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.199 -1.177 . . . . 0.0 113.959 171.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.966 HG22 ' HB2' ' B' ' 62' ' ' GLU . 70.8 mt -110.36 135.44 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.208 -0.932 . . . . 0.0 110.317 -162.66 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -120.5 173.07 7.39 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.296 1.038 . . . . 0.0 112.818 169.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.499 ' HE2' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.32 -34.32 66.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.825 -1.172 . . . . 0.0 112.067 -156.15 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -78.13 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.656 0 O-C-N 120.372 -1.455 . . . . 0.0 113.411 161.193 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.966 ' HB2' HG22 ' B' ' 58' ' ' ILE . 5.0 mt-10 -40.98 -31.01 0.15 Allowed 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 172.291 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 3.9 t80 -58.54 -53.32 59.71 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 119.89 -1.757 . . . . 0.0 112.045 170.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.4 mt -54.98 -26.04 33.95 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.19 0.996 . . . . 0.0 111.724 -177.274 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -43.37 10.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.244 -0.91 . . . . 0.0 109.464 174.754 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.01 -57.04 3.57 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 171.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.401 ' HG2' ' N ' ' B' ' 68' ' ' GLU . 6.0 ttm -64.15 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.082 0.953 . . . . 0.0 110.599 166.452 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' B' ' 67' ' ' MET . 5.9 mt-10 -77.29 6.73 6.21 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -163.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 10.66 110.9 0.0 OUTLIER Glycine 0 CA--C 1.57 3.522 0 N-CA-C 116.691 1.437 . . . . 0.0 116.691 155.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -123.19 30.46 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.172 -1.193 . . . . 0.0 108.464 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -66.43 -80.83 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.241 -0.912 . . . . 0.0 111.972 -174.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.112 -0.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -170.65 118.74 0.53 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.564 -0.71 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.64 129.49 34.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.271 -0.893 . . . . 0.0 112.418 -164.668 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.0 pt-20 -130.08 -35.45 1.6 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.247 -0.908 . . . . 0.0 111.875 -169.844 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.686 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -64.71 -23.7 67.33 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -69.31 -62.56 1.33 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 171.017 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.047 HD21 HD22 ' B' ' 64' ' ' LEU . 5.8 mp -55.52 -21.37 16.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.086 -1.009 . . . . 0.0 111.707 167.359 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.686 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -59.05 -68.49 0.27 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.126 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -50.62 -44.04 57.1 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.246 -0.909 . . . . 0.0 113.307 169.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -60.89 -43.07 98.99 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.584 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 84.9 t80 -69.01 -27.65 65.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.348 -0.845 . . . . 0.0 111.93 177.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -68.34 -36.67 79.6 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.914 0.886 . . . . 0.0 113.058 163.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.86 -38.8 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 124.3 1.04 . . . . 0.0 110.288 -176.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.696 ' CE2' HG23 ' A' ' 30' ' ' ILE . 11.1 m-85 -58.48 -52.09 67.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.307 -0.871 . . . . 0.0 110.378 175.186 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.72 146.38 33.95 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.222 -0.924 . . . . 0.0 112.822 -170.654 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.637 ' HG2' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.6 -37.32 87.17 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.11 -0.994 . . . . 0.0 109.178 -170.509 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 4.1 m-80 -140.47 -33.04 0.57 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -158.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 82.73 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 156.195 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.4 -23.08 64.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.258 -0.901 . . . . 0.0 112.681 156.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.538 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 130.37 20.39 1.27 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.258 -0.901 . . . . 0.0 115.301 155.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.568 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -124.05 168.8 12.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.301 -1.117 . . . . 0.0 111.591 177.072 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 mt -110.81 162.64 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.043 -1.036 . . . . 0.0 110.243 165.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.53 158.36 27.47 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.13 -0.981 . . . . 0.0 112.623 164.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.848 ' CD1' HD12 ' A' ' 27' ' ' LEU . 1.8 tp -59.61 -31.38 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.418 -0.802 . . . . 0.0 110.186 174.141 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.11 -28.32 68.72 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 177.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.637 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 89.0 mt-10 -75.78 -24.61 56.01 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 166.025 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.848 HD12 ' CD1' ' A' ' 24' ' ' ILE . 8.9 tt -69.42 -52.75 23.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.225 -0.922 . . . . 0.0 111.833 -159.214 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.39 -30.83 78.75 Favored Glycine 0 CA--C 1.571 3.559 0 O-C-N 121.171 -0.955 . . . . 0.0 115.163 176.015 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.653 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 1.2 tt0 -75.38 -35.63 61.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.161 . . . . 0.0 113.86 176.846 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.696 HG23 ' CE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -55.96 -65.89 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.208 163.84 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.38 -24.32 67.2 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.128 -0.982 . . . . 0.0 111.709 -164.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 -16.31 12.91 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.115 -0.991 . . . . 0.0 110.873 -168.613 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.653 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -43.02 124.92 3.37 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.794 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.416 HG21 ' H ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -91.92 -158.92 0.61 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.235 -0.916 . . . . 0.0 109.721 -169.19 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' H ' HG21 ' A' ' 34' ' ' THR . . . -160.53 -27.52 0.02 OUTLIER Glycine 0 CA--C 1.572 3.621 0 O-C-N 121.187 -0.946 . . . . 0.0 115.086 156.676 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.397 0 O-C-N 121.285 -1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.8 95.87 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.542 HG23 ' H ' ' B' ' 40' ' ' GLU . 0.6 OUTLIER -86.42 -177.9 6.31 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.212 -0.93 . . . . 0.0 109.763 -172.485 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.542 ' H ' HG23 ' B' ' 39' ' ' THR . 64.5 mt-10 -74.66 -36.36 62.83 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 176.806 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.2 -41.53 98.45 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 173.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.13 -35.62 80.12 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.233 -0.917 . . . . 0.0 112.64 175.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.25 -35.32 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.217 -0.927 . . . . 0.0 110.227 169.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.81 -34.16 71.45 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.58 -42.33 91.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.282 -0.886 . . . . 0.0 112.662 166.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.2 tp -51.55 -46.77 63.49 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 168.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.504 ' HE3' HG13 ' B' ' 58' ' ' ILE . 1.9 tpt -70.25 -42.9 71.59 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.095 -176.255 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -85.82 -18.39 33.02 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 -172.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.02 -58.36 5.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.499 -1.376 . . . . 0.0 112.466 157.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.0 m -55.66 -32.6 63.35 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.143 -0.973 . . . . 0.0 112.709 -174.162 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -76.97 104.6 7.55 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.253 -0.904 . . . . 0.0 112.675 -168.234 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -55.2 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.225 -0.922 . . . . 0.0 109.917 -177.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -65.7 -2.57 3.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.267 -0.896 . . . . 0.0 113.41 -167.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 58.79 84.3 0.11 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.103 -0.998 . . . . 0.0 113.251 170.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.5 -17.39 1.0 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.242 -0.911 . . . . 0.0 112.746 172.435 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.74 8.82 56.9 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 120.858 -1.151 . . . . 0.0 115.115 165.254 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -147.43 151.74 36.96 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.224 -1.162 . . . . 0.0 113.838 167.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.821 HG22 ' HB2' ' B' ' 62' ' ' GLU . 65.4 mt -105.86 151.97 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.133 -0.979 . . . . 0.0 110.202 -156.735 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -118.23 -167.46 1.36 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.088 -1.008 . . . . 0.0 112.717 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.33 -39.0 93.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.034 -1.041 . . . . 0.0 112.091 -176.156 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.55 -84.72 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.827 2.251 . . . . 0.0 111.324 171.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.821 ' HB2' HG22 ' B' ' 58' ' ' ILE . 30.9 mt-10 -27.21 -35.28 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.905 -1.498 . . . . 0.0 113.868 167.846 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.584 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -61.17 -55.95 26.36 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.977 -1.077 . . . . 0.0 111.846 174.455 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 1.047 HD22 HD21 ' A' ' 7' ' ' LEU . 19.6 mt -51.01 -42.17 60.25 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.689 1.196 . . . . 0.0 111.888 175.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -98.92 -9.56 23.97 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.995 -1.066 . . . . 0.0 109.646 -164.118 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -90.42 -40.17 12.2 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 166.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -53.88 14.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.198 -0.938 . . . . 0.0 110.615 162.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.01 -46.46 61.55 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 162.348 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.93 -110.85 0.45 Allowed Glycine 0 CA--C 1.572 3.601 0 O-C-N 121.227 -0.921 . . . . 0.0 115.167 165.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.4 t -98.52 150.59 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.307 -1.113 . . . . 0.0 108.51 -163.123 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -83.73 -35.4 24.46 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.18 -0.95 . . . . 0.0 111.932 -158.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.385 0 O-C-N 121.23 -0.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.91 86.99 0.11 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.508 -0.745 . . . . 0.0 110.031 . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -83.54 146.24 28.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.255 -0.903 . . . . 0.0 112.391 -169.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -106.1 -21.18 13.19 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.208 -0.933 . . . . 0.0 111.859 -167.524 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.08 -23.48 62.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -177.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -102.68 -28.36 12.17 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.579 HD21 HD22 ' B' ' 64' ' ' LEU . 5.7 mp -74.47 -25.91 59.69 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.046 0.938 . . . . 0.0 111.753 161.352 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' HA ' ' HE1' ' B' ' 60' ' ' PHE . . . -68.2 -54.9 14.55 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.229 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.84 -31.7 69.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.253 -0.904 . . . . 0.0 113.182 170.221 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -64.85 -37.09 86.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 166.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.627 ' HD1' ' CG ' ' B' ' 63' ' ' PHE . 64.4 t80 -78.38 -30.11 47.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.37 -0.831 . . . . 0.0 112.214 -178.365 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -56.97 12.11 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.306 1.042 . . . . 0.0 112.922 163.603 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.43 -28.39 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.2 -0.938 . . . . 0.0 110.269 -170.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -72.83 -38.16 67.22 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.917 0.887 . . . . 0.0 110.414 174.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.6 122.59 20.79 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.263 -0.898 . . . . 0.0 112.798 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' CD ' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -91.07 13.57 16.47 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.016 -1.052 . . . . 0.0 109.879 -162.754 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.432 ' HB3' ' CD ' ' A' ' 16' ' ' LYS . 1.9 p30 -170.46 -25.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.383 -1.448 . . . . 0.0 114.651 -154.445 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.57 55.31 2.8 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 161.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.69 -20.1 21.94 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.226 -0.922 . . . . 0.0 112.746 154.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 126.05 2.51 7.15 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.111 -0.993 . . . . 0.0 115.151 171.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -120.08 170.43 9.3 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.215 -1.168 . . . . 0.0 111.662 -175.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.817 HG22 ' CG ' ' A' ' 26' ' ' GLU . 62.9 mt -127.49 121.14 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 C-N-CA 124.195 0.998 . . . . 0.0 110.199 175.548 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 p30 -98.99 161.75 13.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.964 -1.085 . . . . 0.0 112.849 -174.153 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -9.06 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.291 -0.881 . . . . 0.0 110.527 175.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -80.79 -40.15 25.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.469 -1.394 . . . . 0.0 113.746 170.714 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.817 ' CG ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.82 -50.82 65.21 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.311 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.757 HD13 HG12 ' B' ' 43' ' ' ILE . 2.1 tm? -44.21 -73.22 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.337 1.455 . . . . 0.0 111.966 -171.024 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -48.72 -42.51 28.45 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.174 -0.954 . . . . 0.0 115.1 -177.323 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.74 -36.46 78.42 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.224 -1.162 . . . . 0.0 113.903 178.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.618 HG21 HD22 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -58.46 -61.61 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.115 -0.99 . . . . 0.0 110.209 162.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 30' ' ' ILE . 3.6 mt -79.62 25.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 121.01 -1.056 . . . . 0.0 111.45 -178.173 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 tpt85 -155.76 -64.26 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.333 -0.855 . . . . 0.0 110.831 163.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.24 121.66 23.24 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -159.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.16 134.97 33.82 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.268 -0.895 . . . . 0.0 109.664 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.58 14.13 0.06 OUTLIER Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.221 -0.925 . . . . 0.0 115.053 -177.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.431 0 O-C-N 121.238 -1.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -89.16 146.17 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 63.8 p -105.78 166.27 10.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.228 -0.92 . . . . 0.0 109.789 157.084 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.91 -37.79 88.37 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -173.847 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.81 -33.11 72.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -178.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.55 -47.21 86.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.226 -0.921 . . . . 0.0 112.705 168.015 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.757 HG12 HD13 ' A' ' 27' ' ' LEU . 8.7 mt -63.73 -51.72 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.234 -0.916 . . . . 0.0 110.272 -174.457 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -33.98 77.19 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.45 -46.67 89.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.264 -0.898 . . . . 0.0 112.622 165.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.81 -44.74 61.11 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -175.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.761 ' HE2' ' CD1' ' B' ' 58' ' ' ILE . 6.6 ttt -87.8 11.11 16.32 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.054 -1.029 . . . . 0.0 112.083 176.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.7 -34.96 11.17 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 123.902 0.881 . . . . 0.0 109.869 156.682 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -67.49 -58.99 3.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 112.468 175.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 -16.18 58.59 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.187 -0.946 . . . . 0.0 112.907 -176.423 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -65.09 134.59 54.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.176 -0.952 . . . . 0.0 112.68 165.758 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -99.09 0.25 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.263 -0.898 . . . . 0.0 110.015 -176.738 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.17 12.42 2.87 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -170.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.17 48.37 10.55 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.98 0.912 . . . . 0.0 113.293 -164.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -106.13 54.67 0.68 Allowed 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 124.798 1.239 . . . . 0.0 112.435 153.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.74 27.1 0.92 Allowed Glycine 0 CA--C 1.57 3.497 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -159.845 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.04 122.97 32.26 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.904 -1.351 . . . . 0.0 113.808 161.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.925 HG22 ' HB2' ' B' ' 62' ' ' GLU . 40.3 mt -101.95 149.13 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.032 -1.042 . . . . 0.0 110.122 -156.873 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -119.27 -174.72 2.78 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.07 -1.019 . . . . 0.0 112.829 171.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.463 ' HE1' ' HA ' ' A' ' 8' ' ' ALA . 42.0 t80 -62.3 -32.15 72.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.947 -1.095 . . . . 0.0 112.014 -166.102 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.72 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.151 0 CA-C-O 124.652 2.168 . . . . 0.0 111.516 172.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.925 ' HB2' HG22 ' B' ' 58' ' ' ILE . 35.3 mt-10 -24.44 -41.71 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.734 0 CA-C-N 113.825 -1.534 . . . . 0.0 113.614 166.418 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.627 ' CG ' ' HD1' ' A' ' 11' ' ' PHE . 58.2 t80 -60.41 -48.86 79.92 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.437 -0.79 . . . . 0.0 111.719 179.133 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.579 HD22 HD21 ' A' ' 7' ' ' LEU . 27.6 mt -60.35 -29.87 69.18 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 124.823 1.249 . . . . 0.0 111.86 173.527 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -45.37 9.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -163.614 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.836 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.72 2.81 31.93 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 167.57 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -73.49 0.24 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.029 -1.045 . . . . 0.0 110.514 156.221 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -138.47 34.22 2.27 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -167.347 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.42 -51.77 11.99 Favored Glycine 0 CA--C 1.572 3.6 0 O-C-N 121.201 -0.937 . . . . 0.0 115.166 155.55 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.54 148.09 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.283 -1.127 . . . . 0.0 108.462 -175.378 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -110.21 141.08 43.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.245 -0.909 . . . . 0.0 112.097 167.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.404 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.308 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -64.47 142.48 58.41 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.515 -0.741 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -93.36 103.1 15.35 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.227 -0.92 . . . . 0.0 112.451 177.396 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.458 ' HG3' ' H ' ' A' ' 5' ' ' GLU 0.257 0.0 OUTLIER -94.5 -65.05 1.01 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.226 -0.921 . . . . 0.0 111.825 173.579 . . . . . . . . 4 4 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.593 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 8.3 tt0 -49.57 -26.88 3.88 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -164.128 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.88 -54.59 5.67 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -178.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 1.023 HD11 HD22 ' B' ' 64' ' ' LEU . 1.2 mt -58.23 -15.51 10.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.208 -0.933 . . . . 0.0 111.768 164.747 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -70.86 -65.32 0.75 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 166.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -40.66 -51.92 2.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.247 -0.908 . . . . 0.0 113.232 163.248 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.43 84.09 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 -176.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.484 ' HD1' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -68.8 -42.56 77.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.214 -0.929 . . . . 0.0 112.066 179.086 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -53.03 -41.07 64.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.132 -0.98 . . . . 0.0 112.924 167.013 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.62 -33.33 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.504 1.122 . . . . 0.0 110.204 -171.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -56.58 -41.33 76.76 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.373 -0.829 . . . . 0.0 110.43 170.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.86 168.57 19.18 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.179 -0.95 . . . . 0.0 112.794 -159.064 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.717 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -101.08 -79.1 0.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 161.598 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.717 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 19.9 t30 -86.8 -36.38 18.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -162.627 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.75 58.58 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 155.604 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.4 17.14 4.67 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.26 -0.9 . . . . 0.0 112.68 160.205 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.15 -1.67 54.64 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.097 -1.002 . . . . 0.0 115.439 173.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.24 163.97 14.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.235 -1.156 . . . . 0.0 111.801 -168.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.8 mt -122.47 138.88 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.273 1.029 . . . . 0.0 110.215 164.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -118.12 168.28 10.71 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.967 -1.083 . . . . 0.0 112.753 -166.898 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.654 HD11 ' SD ' ' B' ' 47' ' ' MET . 2.3 tp -60.57 -37.16 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.112 -0.993 . . . . 0.0 110.217 -173.365 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.18 -21.27 56.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.56 -23.06 53.56 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 164.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.657 ' HG ' HD12 ' A' ' 31' ' ' LEU . 1.3 tt -74.58 -72.91 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.202 -0.937 . . . . 0.0 111.843 -161.276 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.71 60.14 Favored Glycine 0 CA--C 1.572 3.594 0 O-C-N 121.171 -0.955 . . . . 0.0 115.122 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -52.3 -59.74 4.04 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -1.171 . . . . 0.0 113.895 162.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -48.14 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.103 -0.998 . . . . 0.0 110.168 171.372 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.657 HD12 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -73.16 13.14 0.45 Allowed 'General case' 0 CA--C 1.574 1.87 0 O-C-N 121.199 -0.938 . . . . 0.0 111.467 -167.266 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -108.84 -43.52 4.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.308 -0.87 . . . . 0.0 110.851 162.062 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.44 162.34 13.09 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -172.15 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -79.97 161.12 25.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.168 -0.957 . . . . 0.0 109.706 -159.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.75 162.65 28.3 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.25 -0.906 . . . . 0.0 115.096 -163.542 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.262 -1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.89 69.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.24 173.37 12.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.213 -0.929 . . . . 0.0 109.728 -179.71 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.19 -17.88 54.04 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 173.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -20.45 66.05 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 164.164 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -80.06 -37.74 33.29 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.231 -0.918 . . . . 0.0 112.663 169.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.54 -38.22 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.146 -0.971 . . . . 0.0 110.12 163.385 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -35.09 78.27 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 172.01 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.07 -42.29 99.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 171.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.39 -53.83 51.49 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 173.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.654 ' SD ' HD11 ' A' ' 24' ' ' ILE . 2.8 tpt -76.7 -28.81 56.01 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.755 -1.215 . . . . 0.0 111.993 -166.048 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -20.58 17.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.264 -0.897 . . . . 0.0 110.292 -176.205 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.05 -50.38 62.1 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.602 -1.311 . . . . 0.0 112.445 157.763 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -75.32 -32.32 60.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.187 -0.946 . . . . 0.0 112.873 -170.635 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.65 98.71 4.12 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.206 -0.933 . . . . 0.0 112.681 -173.032 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.92 -75.38 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.067 -174.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.53 -12.86 59.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.14 -0.975 . . . . 0.0 113.333 -164.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.1 m120 62.59 66.61 0.76 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.097 -1.002 . . . . 0.0 113.272 163.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -51.81 2.84 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.036 1.334 . . . . 0.0 112.625 159.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 176.9 -26.92 0.06 OUTLIER Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.246 -0.909 . . . . 0.0 115.042 174.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -115.77 171.05 8.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.263 -1.14 . . . . 0.0 113.907 -157.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 1.034 HG22 ' HB2' ' B' ' 62' ' ' GLU . 39.0 mt -103.34 151.9 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 124.338 1.055 . . . . 0.0 110.206 166.72 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -125.2 -153.48 0.57 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.314 1.045 . . . . 0.0 112.731 160.04 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.476 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -79.67 -40.51 28.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.857 -1.152 . . . . 0.0 112.156 -162.68 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.04 -75.27 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 113.853 164.178 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 1.034 ' HB2' HG22 ' B' ' 58' ' ' ILE . 3.2 mt-10 -33.18 -49.99 0.28 Allowed 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 165.808 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.416 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 9.4 t80 -53.25 -35.72 60.31 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.22 -0.925 . . . . 0.0 111.863 -177.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 1.023 HD22 HD11 ' A' ' 7' ' ' LEU . 23.2 mt -71.12 -33.09 69.8 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.022 0.929 . . . . 0.0 111.781 -179.407 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 -38.15 21.08 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.256 -0.903 . . . . 0.0 109.358 179.304 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.9 ttp -55.95 -59.6 4.66 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -46.58 -65.36 0.57 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.248 -0.908 . . . . 0.0 110.521 168.275 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.44 -57.03 4.05 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -159.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.84 57.6 1.7 Allowed Glycine 0 CA--C 1.572 3.611 0 O-C-N 121.141 -0.974 . . . . 0.0 115.107 -163.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.559 HG23 ' HG2' ' B' ' 71' ' ' GLN . 9.8 p -62.92 173.2 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.344 -1.092 . . . . 0.0 108.545 -167.42 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.559 ' HG2' HG23 ' B' ' 70' ' ' VAL . 10.8 pt20 -41.0 138.57 1.04 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.172 -0.955 . . . . 0.0 112.001 173.064 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.413 0 O-C-N 121.239 -0.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tptt 90.5 152.34 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.555 -0.715 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 4.8 m -85.4 91.89 8.33 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.282 -0.886 . . . . 0.0 112.446 -154.763 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.257 0.9 OUTLIER -158.64 -35.81 0.06 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.163 -0.961 . . . . 0.0 111.893 -166.608 . . . . . . . . 4 4 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.782 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -61.66 -54.64 40.12 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -159.307 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -63.08 -57.33 10.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -22.93 27.36 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.268 -0.895 . . . . 0.0 111.731 169.902 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.782 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -62.42 -66.56 0.52 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 169.504 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -35.03 -58.91 0.52 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 123.942 0.897 . . . . 0.0 113.254 160.221 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.34 80.28 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -174.473 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.684 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 66.8 t80 -76.99 -32.23 57.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -0.893 . . . . 0.0 112.247 -178.644 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.51 -56.32 21.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.152 -0.968 . . . . 0.0 112.902 160.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mm -65.15 -33.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.053 0.941 . . . . 0.0 110.266 -166.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -54.96 -67.58 0.26 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.23 -0.919 . . . . 0.0 110.39 165.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -55.5 128.72 35.8 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.141 0.976 . . . . 0.0 112.854 -164.371 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -68.63 0.35 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 175.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -85.1 -30.6 23.91 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -161.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.22 48.2 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 159.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -76.69 -11.68 59.88 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.266 -0.896 . . . . 0.0 112.696 159.218 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.02 55.63 Favored Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.052 -1.03 . . . . 0.0 115.227 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -117.04 159.08 23.08 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.236 -1.155 . . . . 0.0 111.693 176.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.5 mt -117.63 151.28 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.195 0.998 . . . . 0.0 110.213 172.094 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -127.45 173.2 10.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.06 -1.025 . . . . 0.0 112.74 -162.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -39.48 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.58 -25.37 59.23 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -177.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -77.08 -29.56 55.03 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 169.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' C ' HD11 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.98 -67.3 0.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.194 -0.941 . . . . 0.0 111.879 -172.514 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.6 -38.0 5.26 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.159 178.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -80.15 -35.35 36.73 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.24 -1.153 . . . . 0.0 113.86 -177.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -56.14 -57.94 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.28 -0.888 . . . . 0.0 110.228 166.377 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD23 HG13 ' B' ' 43' ' ' ILE . 4.6 pp -64.29 -16.19 61.67 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.052 -1.03 . . . . 0.0 111.732 178.819 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -97.39 -20.77 17.59 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.166 -0.959 . . . . 0.0 111.007 174.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.84 -27.52 0.12 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.682 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.9 p -55.47 -34.76 64.83 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.224 -0.922 . . . . 0.0 109.781 -159.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.37 -86.75 0.06 OUTLIER Glycine 0 CA--C 1.572 3.599 0 O-C-N 121.154 -0.966 . . . . 0.0 115.107 -159.484 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.21 -1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 p 42.37 83.56 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.23 170.13 20.78 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.167 -0.958 . . . . 0.0 109.784 -176.546 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -36.85 71.53 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -64.46 -29.53 70.57 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 174.136 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.86 -38.58 88.8 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.212 -0.93 . . . . 0.0 112.636 168.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.617 HG13 HD23 ' A' ' 31' ' ' LEU . 1.6 mp -66.2 -42.64 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.218 -0.926 . . . . 0.0 110.281 172.606 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.49 77.87 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.343 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -74.17 -34.29 63.76 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.04 0.936 . . . . 0.0 112.698 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.42 -45.63 84.42 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 160.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.518 ' HE1' ' O ' ' B' ' 56' ' ' GLY . 3.5 ttt -80.37 7.84 8.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.155 -0.966 . . . . 0.0 112.139 -175.301 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -34.45 5.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.318 -0.864 . . . . 0.0 109.961 161.597 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -67.37 -34.19 76.77 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 0.0 112.454 173.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -86.97 -40.22 14.98 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.247 -0.908 . . . . 0.0 112.897 170.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -74.45 119.11 18.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.247 -0.908 . . . . 0.0 112.641 179.004 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -62.51 1.36 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.082 -1.012 . . . . 0.0 110.061 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 -30.06 70.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.324 -0.86 . . . . 0.0 113.258 -179.099 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 56.22 43.76 26.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.17 -0.956 . . . . 0.0 113.242 167.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -32.56 36.03 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.166 -0.959 . . . . 0.0 112.722 158.901 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.518 ' O ' ' HE1' ' B' ' 47' ' ' MET . . . 159.09 -11.54 0.19 Allowed Glycine 0 CA--C 1.571 3.586 0 O-C-N 121.107 -0.996 . . . . 0.0 115.234 161.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -151.32 162.73 40.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.244 -1.151 . . . . 0.0 113.853 -156.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.957 HG22 ' HB2' ' B' ' 62' ' ' GLU . 77.5 mt -109.58 150.21 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.209 -0.932 . . . . 0.0 110.225 -159.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -122.3 -165.88 1.34 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.063 -1.023 . . . . 0.0 112.739 166.792 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 112.048 -164.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.719 -1.238 . . . . 0.0 113.613 163.769 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.957 ' HB2' HG22 ' B' ' 58' ' ' ILE . 1.0 OUTLIER -34.42 -35.69 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.065 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.684 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 8.3 t80 -59.4 -49.18 78.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.559 -1.338 . . . . 0.0 111.927 174.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.28 -28.5 69.37 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.283 -0.886 . . . . 0.0 111.744 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -53.5 16.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.035 -1.041 . . . . 0.0 109.332 167.77 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.445 ' HE1' ' HB3' ' B' ' 66' ' ' MET . 6.1 tmm? -61.1 -34.12 74.44 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -172.719 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -73.3 0.12 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.301 -0.874 . . . . 0.0 110.57 161.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -49.02 -33.06 10.42 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -161.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.6 161.2 6.82 Favored Glycine 0 CA--C 1.571 3.582 0 O-C-N 121.228 -0.92 . . . . 0.0 115.076 155.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.76 155.53 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.2 -1.176 . . . . 0.0 108.505 -171.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -60.38 -33.54 72.6 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.265 -0.897 . . . . 0.0 112.013 -168.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.402 0 O-C-N 121.221 -0.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -142.7 94.14 2.6 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.466 -0.771 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -150.34 63.22 0.96 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.287 -0.883 . . . . 0.0 112.42 -162.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.96 ' HG3' ' CD2' ' B' ' 64' ' ' LEU 0.26 0.0 OUTLIER -87.21 45.87 1.32 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.26 -0.9 . . . . 0.0 111.746 161.535 . . . . . . . . 4 4 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.416 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -73.64 -59.54 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -171.376 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.04 -18.01 59.22 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.563 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -28.25 30.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.209 -0.932 . . . . 0.0 111.703 168.221 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -65.02 -66.96 0.48 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 169.039 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -33.06 -55.03 0.39 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.919 0.887 . . . . 0.0 113.232 161.347 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -31.49 65.91 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -173.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -76.24 -30.26 57.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.272 -0.892 . . . . 0.0 112.141 177.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -26.25 57.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.252 -0.905 . . . . 0.0 112.969 167.124 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -74.08 -34.5 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.213 176.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -71.22 -33.63 70.06 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 123.997 0.919 . . . . 0.0 110.412 177.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.17 106.46 11.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.95 . . . . 0.0 112.867 -161.69 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.25 -51.2 7.67 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.134 -0.978 . . . . 0.0 109.413 -162.029 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -101.27 -30.01 11.75 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 84.12 43.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 154.128 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.64 -17.29 62.76 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.94 -1.1 . . . . 0.0 112.364 153.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.62 -41.63 1.5 Allowed Glycine 0 CA--C 1.573 3.686 0 O-C-N 121.454 -0.779 . . . . 0.0 115.001 178.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -128.56 163.4 25.09 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.461 -1.023 . . . . 0.0 111.74 -162.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -99.5 154.26 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 124.135 0.974 . . . . 0.0 110.281 -162.247 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.64 173.66 10.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.139 -0.976 . . . . 0.0 112.736 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -28.43 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.904 . . . . 0.0 110.272 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.28 -37.31 85.15 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.104 -0.998 . . . . 0.0 113.692 170.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -74.88 -40.43 60.95 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.922 HD11 HG22 ' B' ' 43' ' ' ILE . 2.9 tm? -45.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.008 0.923 . . . . 0.0 111.961 -174.413 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -43.54 -53.38 6.04 Favored Glycine 0 CA--C 1.57 3.528 0 O-C-N 121.091 -1.006 . . . . 0.0 115.148 -174.785 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -62.94 -35.77 81.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.239 -1.154 . . . . 0.0 113.861 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.16 -55.26 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.192 171.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.423 ' HB2' ' HD3' ' A' ' 32' ' ' ARG . 2.7 mt -54.49 -49.34 70.37 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.028 -1.045 . . . . 0.0 111.34 173.297 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HD3' ' HB2' ' A' ' 31' ' ' LEU . 2.9 mtp85 -117.96 34.7 5.04 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.465 -0.772 . . . . 0.0 110.829 -157.133 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.14 -178.44 3.87 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 165.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -133.24 87.46 2.4 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.254 -0.904 . . . . 0.0 109.812 175.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.92 -95.15 0.01 OUTLIER Glycine 0 CA--C 1.572 3.602 0 O-C-N 121.22 -0.925 . . . . 0.0 115.063 -159.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.216 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.23 150.33 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.2 p -134.43 -156.93 0.77 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.258 -0.902 . . . . 0.0 109.727 176.567 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.13 -38.45 43.78 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 173.231 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.72 -21.02 63.51 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.752 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -59.9 -56.2 24.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.306 -0.871 . . . . 0.0 112.689 161.319 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.922 HG22 HD11 ' A' ' 27' ' ' LEU . 1.2 mp -59.56 -42.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.243 177.18 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -34.95 75.02 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.32 -46.99 81.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -0.859 . . . . 0.0 112.643 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.36 -46.57 69.74 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -176.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -33.63 64.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 112.013 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' B' ' 51' ' ' ASP . 4.6 tptp -84.29 -12.97 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.299 -0.876 . . . . 0.0 110.553 177.031 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.99 -58.32 5.16 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.242 -1.536 . . . . 0.0 112.442 158.057 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.29 1.86 7.03 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.096 -1.003 . . . . 0.0 113.251 177.556 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' B' ' 48' ' ' LYS . 21.2 t70 -70.63 122.25 19.42 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.005 -1.06 . . . . 0.0 112.633 178.775 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.4 ' HB2' ' ND2' ' B' ' 54' ' ' ASN . 7.4 mmmm -65.03 -140.48 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.072 -1.018 . . . . 0.0 110.087 158.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -73.36 -57.26 4.14 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.223 168.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' B' ' 52' ' ' LYS . 1.7 m120 58.91 99.65 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 0.0 113.377 164.219 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -37.93 -46.6 0.99 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.191 -0.943 . . . . 0.0 112.669 162.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.82 -39.36 0.04 OUTLIER Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.23 -0.919 . . . . 0.0 115.129 -177.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.69 169.31 13.94 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.174 -1.192 . . . . 0.0 113.873 -155.536 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.989 HG22 ' HB2' ' B' ' 62' ' ' GLU . 78.5 mt -111.92 137.65 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.07 -1.019 . . . . 0.0 110.297 -177.141 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -124.23 173.5 8.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.653 -1.279 . . . . 0.0 112.756 166.391 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.92 -40.72 57.79 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.441 1.096 . . . . 0.0 112.257 -153.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.29 -77.93 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.692 -1.255 . . . . 0.0 113.737 167.274 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.989 ' HB2' HG22 ' B' ' 58' ' ' ILE . 0.1 OUTLIER -31.02 -42.79 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 169.165 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -57.92 -47.81 81.74 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.951 -1.093 . . . . 0.0 112.198 178.549 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.96 ' CD2' ' HG3' ' A' ' 4' ' ' GLU . 29.2 mt -62.28 -22.12 65.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.236 -0.915 . . . . 0.0 111.761 179.593 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -87.1 -51.53 5.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.159 -0.963 . . . . 0.0 109.352 173.365 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.7 ttm -50.19 -15.24 0.21 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 176.494 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mmt -88.59 -69.18 0.72 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 156.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -91.93 -44.06 9.11 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -155.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.54 -81.73 0.04 OUTLIER Glycine 0 CA--C 1.572 3.608 0 O-C-N 121.168 -0.957 . . . . 0.0 115.077 -163.275 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.6 t -102.45 134.75 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.255 -1.144 . . . . 0.0 108.525 -177.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -97.48 -120.16 0.13 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.209 -0.932 . . . . 0.0 111.916 -164.649 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.419 0 O-C-N 121.084 -1.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt 78.25 109.29 0.07 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.511 -0.743 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 p -118.56 154.5 32.49 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.311 -0.868 . . . . 0.0 112.414 166.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.6 mm-40 -97.28 18.86 14.15 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.17 -0.956 . . . . 0.0 111.843 173.353 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.63 -75.46 0.2 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -155.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -64.14 -21.84 66.7 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 178.313 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.723 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 62.0 mt -89.94 -14.92 33.11 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.355 1.062 . . . . 0.0 111.778 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.93 -52.85 8.19 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 161.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -45.85 -44.48 14.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.229 -0.919 . . . . 0.0 113.263 158.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.723 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -66.19 -42.58 88.66 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 176.713 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HE2' ' HA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -74.08 -36.96 64.33 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.881 0.872 . . . . 0.0 112.033 -176.353 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -35.72 81.9 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.164 0.986 . . . . 0.0 112.944 169.612 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -76.53 -33.94 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.383 1.073 . . . . 0.0 110.25 -174.741 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.26 -29.13 65.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.314 -0.866 . . . . 0.0 110.417 169.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.46 156.85 37.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.208 -0.933 . . . . 0.0 112.724 -172.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.74 -46.71 0.49 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.045 -1.034 . . . . 0.0 109.266 178.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -85.2 -30.31 23.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -171.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.06 65.24 0.05 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 158.227 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.11 13.93 14.83 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.724 1.21 . . . . 0.0 112.655 156.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.97 32.29 82.14 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.259 -0.901 . . . . 0.0 115.112 -165.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -123.76 159.64 29.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.194 -1.18 . . . . 0.0 111.691 174.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -106.04 150.8 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.948 -1.095 . . . . 0.0 110.273 165.476 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -123.1 158.27 31.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.205 -0.935 . . . . 0.0 112.679 177.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.79 -28.49 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.33 -0.856 . . . . 0.0 110.196 -178.279 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.31 -29.22 57.25 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -178.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.659 ' O ' HD11 ' A' ' 30' ' ' ILE . 96.8 mt-10 -77.54 -32.05 53.72 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 167.201 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 1.06 HD11 HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -44.33 -72.71 0.05 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.296 -0.878 . . . . 0.0 111.915 -177.346 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -39.75 -65.35 0.9 Allowed Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.178 -0.951 . . . . 0.0 115.105 163.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.538 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 96.1 mt-10 -61.28 -32.17 72.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.212 -1.17 . . . . 0.0 113.859 -166.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.659 HD11 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -59.94 -59.71 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.141 -0.974 . . . . 0.0 110.239 160.87 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 1.06 HD22 HD11 ' A' ' 27' ' ' LEU . 3.3 pp -80.88 19.51 0.85 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.012 -1.055 . . . . 0.0 111.757 -172.112 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -129.7 -24.65 2.69 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.065 -1.022 . . . . 0.0 110.867 168.173 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -67.01 176.07 2.26 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -173.576 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.9 p -53.98 110.65 0.62 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.227 -0.92 . . . . 0.0 109.814 -163.537 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.27 -128.7 41.97 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.24 -0.913 . . . . 0.0 115.154 173.14 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.425 0 O-C-N 121.297 -1.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.349 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 55.25 82.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -139.76 174.82 10.13 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.17 -0.956 . . . . 0.0 109.727 169.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -20.63 63.03 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 177.036 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -21.45 64.13 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.34 -29.89 15.4 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.21 -0.931 . . . . 0.0 112.682 177.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.457 HG12 HD23 ' A' ' 31' ' ' LEU . 2.1 mp -57.3 -30.86 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.064 -1.022 . . . . 0.0 110.223 159.453 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.65 -32.81 58.22 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 173.977 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -63.29 -34.77 78.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.282 -0.886 . . . . 0.0 112.616 163.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -76.31 -43.23 42.24 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.254 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.704 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 1.6 tpt -94.49 18.27 11.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.157 -0.964 . . . . 0.0 112.147 175.749 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -31.15 6.98 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.224 -0.923 . . . . 0.0 110.08 161.869 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.41 -65.09 0.73 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.949 -1.094 . . . . 0.0 112.457 161.143 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' SER . . . . . 0.631 ' O ' ' HE2' ' B' ' 52' ' ' LYS . 4.7 m -77.01 -21.42 54.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.129 -0.982 . . . . 0.0 112.884 -164.601 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.52 173.17 0.19 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.144 -0.973 . . . . 0.0 112.731 165.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.631 ' HE2' ' O ' ' B' ' 50' ' ' SER . 0.0 OUTLIER -139.96 -109.71 0.15 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.932 -1.105 . . . . 0.0 110.081 170.441 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.12 22.4 0.65 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.692 -1.255 . . . . 0.0 113.828 -169.6 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 73.65 31.05 1.33 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.184 1.394 . . . . 0.0 113.101 170.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -92.13 55.33 2.57 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.346 1.059 . . . . 0.0 112.282 153.365 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . 0.479 ' O ' ' HE2' ' B' ' 47' ' ' MET . . . -66.62 10.94 0.64 Allowed Glycine 0 CA--C 1.571 3.584 0 N-CA-C 115.842 1.097 . . . . 0.0 115.842 -158.659 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -91.49 139.18 30.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.021 -1.282 . . . . 0.0 113.878 174.421 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.975 HG22 ' HB2' ' B' ' 62' ' ' GLU . 26.7 mt -111.26 159.44 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 124.005 0.922 . . . . 0.0 110.63 -154.115 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.02 -174.17 3.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.095 -1.003 . . . . 0.0 112.815 174.487 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.625 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 1.9 t80 -65.46 -34.33 78.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 112.037 -169.026 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.98 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 124.621 2.153 . . . . 0.0 111.282 168.869 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.975 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.7 mt-10 -28.53 -36.08 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 113.885 -1.507 . . . . 0.0 113.781 167.396 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.432 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 2.9 t80 -62.28 -52.61 63.03 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.065 -1.022 . . . . 0.0 112.092 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.481 HD22 HD12 ' A' ' 7' ' ' LEU . 11.3 mt -52.11 -47.21 65.41 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 125.189 1.396 . . . . 0.0 111.879 174.261 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -24.19 38.07 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.114 -0.991 . . . . 0.0 109.344 -174.393 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.41 ' HE3' ' HA ' ' B' ' 63' ' ' PHE . 31.6 ttp -67.96 -54.59 17.42 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 175.668 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.689 ' HE2' HD23 ' A' ' 7' ' ' LEU . 37.0 ttp -64.85 -41.76 95.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.219 -0.925 . . . . 0.0 110.595 176.41 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.72 -79.19 0.06 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 176.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.21 99.43 0.1 OUTLIER Glycine 0 CA--C 1.571 3.577 0 O-C-N 121.168 -0.958 . . . . 0.0 115.097 -168.715 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.38 105.34 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.251 -1.146 . . . . 0.0 108.484 162.683 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -134.79 -29.27 1.16 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.232 -0.917 . . . . 0.0 111.967 165.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.398 0 O-C-N 121.27 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.346 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 tttm 43.05 -148.15 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.475 -0.766 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -73.9 134.45 43.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.224 -0.923 . . . . 0.0 112.441 167.329 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER -162.51 -18.41 0.04 OUTLIER 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.05 -1.032 . . . . 0.0 112.169 -160.717 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.677 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 1.1 tt0 -30.25 -71.31 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 172.913 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.19 -38.86 75.43 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -164.739 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.906 HD12 HD22 ' B' ' 64' ' ' LEU . 33.6 mt -74.05 -18.39 60.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.546 1.139 . . . . 0.0 111.799 168.653 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.677 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -67.97 -60.32 2.59 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 165.505 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -41.98 -54.64 3.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.19 -0.944 . . . . 0.0 113.21 158.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -61.59 -39.11 90.01 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.69 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 51.1 t80 -74.9 -30.8 61.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.213 -0.929 . . . . 0.0 112.092 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -65.01 -46.84 79.72 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.172 0.989 . . . . 0.0 112.897 164.6 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.05 -29.65 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 124.416 1.086 . . . . 0.0 110.215 -166.588 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 13.8 m-30 -70.36 -37.38 74.58 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 124.062 0.945 . . . . 0.0 110.5 168.536 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -64.03 147.64 51.62 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.174 -0.954 . . . . 0.0 112.789 -178.331 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.89 -40.75 3.46 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.111 -0.993 . . . . 0.0 109.279 -177.361 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -108.44 -34.17 6.85 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.56 48.32 0.12 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 158.806 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.54 17.75 7.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.151 -0.968 . . . . 0.0 112.785 154.459 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.57 -3.22 56.21 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 121.007 -1.058 . . . . 0.0 115.424 164.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -119.06 154.57 32.94 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.083 -1.245 . . . . 0.0 111.668 -175.179 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 mm -94.96 125.12 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 C-N-CA 124.448 1.099 . . . . 0.0 110.279 164.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -108.63 178.86 4.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.043 -1.036 . . . . 0.0 112.785 -170.327 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 2.3 tp -67.81 -39.69 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.166 -0.959 . . . . 0.0 110.252 178.191 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.92 -27.35 63.71 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.719 ' O ' HD13 ' A' ' 30' ' ' ILE . 65.3 mt-10 -71.37 -28.3 63.94 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.621 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.567 HD21 ' SD ' ' B' ' 47' ' ' MET . 31.0 tp -67.39 -63.06 1.14 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.184 -0.948 . . . . 0.0 111.88 -165.104 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.42 -38.22 41.65 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.208 -0.932 . . . . 0.0 115.143 178.64 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.52 -34.93 35.22 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.18 -1.188 . . . . 0.0 113.854 -172.55 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 26' ' ' GLU . 4.5 mt -51.33 -64.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.158 -0.964 . . . . 0.0 110.175 159.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.631 HD23 HG12 ' B' ' 43' ' ' ILE . 4.5 pp -70.77 -0.6 9.27 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.007 -1.058 . . . . 0.0 111.774 -168.104 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -118.03 -75.85 0.58 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 169.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.87 155.65 10.16 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -169.615 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -93.42 24.99 3.62 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.218 -0.926 . . . . 0.0 109.75 170.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.03 -95.96 0.01 OUTLIER Glycine 0 CA--C 1.572 3.651 0 O-C-N 121.192 -0.942 . . . . 0.0 115.122 -170.281 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.407 0 O-C-N 121.272 -1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 t 48.88 79.38 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.753 ' O ' HD12 ' B' ' 43' ' ' ILE . 4.7 m -138.93 -125.71 0.12 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.185 -0.947 . . . . 0.0 109.639 -177.142 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.533 ' H ' HG23 ' B' ' 39' ' ' THR . 10.7 tp10 -79.78 -28.06 40.34 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.892 -1.13 . . . . 0.0 113.801 162.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.49 -44.72 74.12 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -52.82 -48.15 67.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.222 -0.924 . . . . 0.0 112.663 165.543 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.753 HD12 ' O ' ' B' ' 39' ' ' THR . 2.0 mp -58.43 -60.46 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.311 -0.868 . . . . 0.0 110.134 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -34.04 77.14 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.975 -1.078 . . . . 0.0 113.742 -168.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.37 -34.44 70.45 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.906 0.882 . . . . 0.0 112.686 172.293 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.42 -44.23 96.92 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.644 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.567 ' SD ' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -64.9 -35.76 82.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.16 -0.962 . . . . 0.0 112.078 176.927 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -27.08 57.58 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 121.246 -0.909 . . . . 0.0 110.342 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.92 -43.2 83.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.22 -0.925 . . . . 0.0 112.401 174.517 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.3 p -94.76 -26.86 16.08 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.952 . . . . 0.0 112.89 -169.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.65 81.17 0.84 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.177 -0.952 . . . . 0.0 112.668 -175.152 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -51.35 -61.45 2.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.224 -0.923 . . . . 0.0 109.929 -172.3 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -59.51 -31.39 69.32 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.921 . . . . 0.0 113.21 -164.162 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 16.0 m120 55.4 44.21 27.51 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 113.275 -172.477 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.26 -50.87 6.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.208 -0.932 . . . . 0.0 112.704 161.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -48.78 0.32 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.185 -0.947 . . . . 0.0 115.26 163.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -115.78 168.77 9.75 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.343 -1.093 . . . . 0.0 113.818 -161.576 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.862 HG22 ' HB2' ' B' ' 62' ' ' GLU . 75.2 mt -107.58 148.33 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.042 -1.036 . . . . 0.0 110.205 -172.587 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -105.57 -164.2 1.01 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.019 . . . . 0.0 112.814 170.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -67.33 -36.01 80.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.045 -1.034 . . . . 0.0 111.972 173.317 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.86 -84.49 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.696 2.189 . . . . 0.0 111.609 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.862 ' HB2' HG22 ' B' ' 58' ' ' ILE . 54.6 mt-10 -29.3 -34.82 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.75 0 CA-C-N 113.96 -1.473 . . . . 0.0 113.96 166.543 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.69 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 57.0 t80 -62.3 -48.08 81.47 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.982 -1.074 . . . . 0.0 111.703 176.367 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.906 HD22 HD12 ' A' ' 7' ' ' LEU . 19.8 mt -58.57 -41.97 86.92 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.205 1.402 . . . . 0.0 111.815 174.864 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.436 ' HZ1' ' HG2' ' B' ' 65' ' ' LYS . 7.7 mttm -66.15 -33.49 75.88 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.09 -1.006 . . . . 0.0 109.415 173.659 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.639 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 9.5 ttm -77.42 -28.8 52.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -173.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.4 ttm -96.7 -17.36 20.38 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 110.558 -178.66 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -75.23 -78.52 0.11 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 159.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.34 46.3 2.6 Favored Glycine 0 CA--C 1.571 3.583 0 O-C-N 121.166 -0.959 . . . . 0.0 115.103 -167.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.03 98.39 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.275 -1.133 . . . . 0.0 108.53 -178.598 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.57 151.73 35.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.242 -0.911 . . . . 0.0 112.017 165.714 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.413 0 O-C-N 121.221 -0.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.351 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.94 41.57 1.09 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.535 -0.728 . . . . 0.0 110.019 . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -94.3 76.05 3.95 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.299 -0.875 . . . . 0.0 112.352 167.59 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 8' ' ' ALA 0.258 1.6 mm-40 -104.26 -20.47 13.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.269 -0.895 . . . . 0.0 112.002 169.067 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.78 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -70.56 -48.7 54.07 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.338 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.05 -31.66 34.39 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.54 HD13 ' SD ' ' B' ' 67' ' ' MET . 0.1 OUTLIER -71.29 -14.57 62.26 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.27 -0.894 . . . . 0.0 111.711 162.015 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.78 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -70.75 -68.29 0.44 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 167.289 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -34.21 -54.87 0.51 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.275 -0.891 . . . . 0.0 113.268 159.711 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -66.4 -35.46 80.39 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.544 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.563 ' HE1' HG12 ' A' ' 22' ' ' ILE . 58.1 t80 -68.44 -37.78 80.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.188 -0.945 . . . . 0.0 112.275 174.6 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.77 -37.91 67.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.157 -0.964 . . . . 0.0 112.928 174.338 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -81.59 -33.22 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 C-N-CA 124.329 1.052 . . . . 0.0 110.151 -168.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CD2' HD11 ' A' ' 30' ' ' ILE . 6.6 m-30 -48.65 -62.85 1.29 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.278 -0.889 . . . . 0.0 110.429 162.608 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.29 141.15 55.94 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.137 -0.977 . . . . 0.0 112.758 -164.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -61.12 1.97 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 -170.048 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -96.95 -27.52 14.61 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -167.766 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.2 52.87 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.184 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -84.26 3.51 35.12 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.23 -0.919 . . . . 0.0 112.98 154.449 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.43 5.92 57.73 Favored Glycine 0 CA--C 1.571 3.569 0 O-C-N 120.533 -1.354 . . . . 0.0 115.239 163.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -110.38 160.86 16.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.148 -1.207 . . . . 0.0 111.694 174.712 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.725 HG22 ' CD ' ' A' ' 26' ' ' GLU . 7.5 mm -98.09 123.98 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.128 -0.983 . . . . 0.0 110.242 161.01 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -98.96 165.34 11.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.004 -1.06 . . . . 0.0 112.703 175.506 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -30.95 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.356 -0.84 . . . . 0.0 110.158 178.56 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -29.87 58.41 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -176.799 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.725 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.19 -47.3 80.32 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 121.203 -0.935 . . . . 0.0 113.513 171.182 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.568 ' C ' HD12 ' A' ' 27' ' ' LEU . 2.1 tm? -53.48 -61.13 2.5 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.986 1.314 . . . . 0.0 111.93 -167.223 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -40.64 -39.55 1.83 Allowed Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.136 -0.977 . . . . 0.0 115.156 173.834 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.38 -31.42 42.86 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.23 -1.159 . . . . 0.0 113.931 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.523 HG21 HD22 ' A' ' 31' ' ' LEU . 13.1 mt -54.41 -67.31 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.205 -0.934 . . . . 0.0 110.279 161.768 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.47 -7.8 1.02 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.117 -0.989 . . . . 0.0 111.449 -176.861 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -92.91 -54.42 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.337 -0.852 . . . . 0.0 110.854 167.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.17 -59.95 3.01 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -161.631 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.78 33.91 1.41 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.233 -0.917 . . . . 0.0 109.727 -164.223 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.29 -76.59 0.24 Allowed Glycine 0 CA--C 1.572 3.599 0 O-C-N 121.164 -0.96 . . . . 0.0 115.055 -175.07 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.393 0 O-C-N 121.234 -1.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.06 98.86 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.483 ' O ' HD11 ' B' ' 43' ' ' ILE . 2.0 p -87.64 159.48 18.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.163 -0.961 . . . . 0.0 109.701 159.261 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -63.36 -27.25 69.18 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 178.923 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.2 -44.79 87.23 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 173.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -47.04 85.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.19 -0.943 . . . . 0.0 112.681 174.862 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.483 HD11 ' O ' ' B' ' 39' ' ' THR . 2.5 mp -61.2 -39.81 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.187 -0.946 . . . . 0.0 110.299 178.237 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -35.74 57.32 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 179.359 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.08 -26.86 61.42 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.044 0.938 . . . . 0.0 112.67 174.402 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.7 -43.45 37.58 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.644 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 19.31 0.71 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.084 -1.01 . . . . 0.0 111.968 167.285 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -130.99 -14.45 3.47 Favored 'General case' 0 N--CA 1.498 1.951 0 C-N-CA 123.844 0.858 . . . . 0.0 110.674 162.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.84 -42.11 86.29 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.348 -1.47 . . . . 0.0 112.426 162.587 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -105.72 -24.2 12.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.089 -1.007 . . . . 0.0 112.945 -173.257 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.18 36.02 0.5 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.277 -0.889 . . . . 0.0 112.805 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -20.73 60.9 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 109.955 -174.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.66 -21.07 24.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.184 -0.947 . . . . 0.0 113.229 -177.269 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.2 m120 44.32 78.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.211 -0.931 . . . . 0.0 113.249 -167.638 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.75 -40.46 0.55 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.187 0.995 . . . . 0.0 112.641 154.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.75 -24.63 1.8 Allowed Glycine 0 CA--C 1.571 3.547 0 N-CA-C 115.477 0.951 . . . . 0.0 115.477 175.114 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -135.1 157.58 46.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.999 -1.295 . . . . 0.0 114.215 -154.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.914 HG22 ' HB2' ' B' ' 62' ' ' GLU . 58.8 mt -110.93 151.92 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 C-N-CA 123.985 0.914 . . . . 0.0 110.425 -166.747 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.4 p30 -123.22 165.9 16.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.794 -1.191 . . . . 0.0 112.734 171.41 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -33.36 16.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.975 -1.078 . . . . 0.0 112.077 -166.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.45 -83.59 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.152 0 CA-C-O 124.7 2.19 . . . . 0.0 111.352 168.936 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.914 ' HB2' HG22 ' B' ' 58' ' ' ILE . 7.8 mm-40 -22.91 -43.77 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.569 165.339 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.407 ' HE1' ' HD2' ' A' ' 14' ' ' PHE . 69.4 t80 -59.92 -46.2 90.14 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.741 0.781 . . . . 0.0 111.841 -179.573 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.11 -46.93 87.97 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.47 1.108 . . . . 0.0 111.907 172.598 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.499 ' HZ1' ' HG3' ' B' ' 65' ' ' LYS . 3.5 mmtp -60.21 -36.61 78.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 176.828 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 28.9 ttp -76.05 -49.86 16.36 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -172.108 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 67' ' ' MET . . . . . 0.54 ' SD ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.19 -10.91 59.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.301 -0.875 . . . . 0.0 110.612 176.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -71.97 -65.95 0.7 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 158.718 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.56 -67.08 0.24 Allowed Glycine 0 CA--C 1.572 3.602 0 O-C-N 121.17 -0.956 . . . . 0.0 115.115 159.608 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.13 126.79 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.304 -1.115 . . . . 0.0 108.489 167.627 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -64.15 139.43 58.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.217 -0.927 . . . . 0.0 112.005 -165.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.377 0 O-C-N 121.22 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.357 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -147.05 92.69 2.16 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.884 0.874 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -112.84 -11.8 13.4 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.247 -0.908 . . . . 0.0 112.38 163.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.9 tt0 -119.75 -42.0 2.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.225 -0.922 . . . . 0.0 111.769 -163.124 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.84 -54.33 35.94 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -162.6 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -24.41 19.94 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -167.45 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -38.49 69.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.142 -0.974 . . . . 0.0 111.742 164.196 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.42 -60.79 3.17 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.3 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -37.31 -52.26 1.08 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.218 -0.926 . . . . 0.0 113.256 162.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.82 71.65 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -173.331 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.692 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 2.0 t80 -69.72 -41.34 75.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.331 -0.856 . . . . 0.0 112.049 179.604 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -58.76 -38.78 79.22 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 124.219 1.008 . . . . 0.0 113.027 166.044 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.75 -36.51 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.028 -1.045 . . . . 0.0 110.218 -172.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -57.98 -48.33 80.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.836 . . . . 0.0 110.426 172.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -73.01 108.75 6.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.259 -0.901 . . . . 0.0 112.77 -170.501 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -23.96 66.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.133 -0.979 . . . . 0.0 109.173 -172.561 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.11 -36.61 10.92 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 179.036 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.23 46.31 25.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.68 -25.21 64.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.233 -0.917 . . . . 0.0 112.721 154.505 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.55 -19.44 3.79 Favored Glycine 0 CA--C 1.572 3.648 0 N-CA-C 115.525 0.97 . . . . 0.0 115.525 179.708 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.72 166.01 11.76 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.25 . . . . 0.0 111.671 -168.38 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.91 155.67 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 C-N-CA 124.332 1.053 . . . . 0.0 110.29 164.826 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -121.92 168.07 12.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.141 -0.974 . . . . 0.0 112.68 172.04 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -31.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.106 -0.996 . . . . 0.0 110.23 174.385 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.95 -32.15 71.54 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.14 -33.73 59.41 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.3 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD11 HG23 ' B' ' 43' ' ' ILE . 2.5 tm? -47.76 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.576 1.15 . . . . 0.0 111.913 -169.094 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -40.6 -43.65 3.03 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.122 -0.986 . . . . 0.0 115.036 174.157 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.622 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.65 -31.11 69.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -1.126 . . . . 0.0 113.902 -176.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' HG21 ' A' ' 34' ' ' THR . 4.8 mm -53.67 -69.5 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 158.756 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.63 -16.62 6.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -0.924 . . . . 0.0 111.421 -166.631 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.499 ' HD3' HG13 ' B' ' 38' ' ' VAL . 2.4 tpt180 -126.15 -59.85 1.3 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.356 -0.84 . . . . 0.0 110.905 -179.151 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -71.13 -15.24 62.49 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -154.765 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.559 HG21 ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -76.11 -18.43 59.17 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.154 -0.966 . . . . 0.0 109.743 -157.702 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.88 -70.37 0.21 Allowed Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.204 -0.935 . . . . 0.0 115.096 168.01 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.269 -1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . 0.533 ' C ' HG11 ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.236 0.394 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.533 HG11 ' C ' ' B' ' 37' ' ' ACE . 0.7 OUTLIER 68.64 165.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 . . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.16 134.02 55.29 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.237 -0.914 . . . . 0.0 109.733 178.55 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.05 -59.1 3.75 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -163.196 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.47 -28.5 69.33 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.926 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.15 -47.55 82.99 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.7 173.408 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 27' ' ' LEU . 2.9 mp -78.49 -36.07 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.208 -0.932 . . . . 0.0 110.212 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -39.87 93.07 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 178.826 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 -41.44 81.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.343 -0.848 . . . . 0.0 112.659 169.228 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.33 -45.27 76.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.451 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.522 ' HE1' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -82.08 -47.05 13.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.176 -0.953 . . . . 0.0 112.057 -178.53 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.55 -24.86 67.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.259 -0.901 . . . . 0.0 110.033 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.24 -61.0 2.14 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.886 -1.134 . . . . 0.0 112.476 158.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -52.59 -25.75 11.48 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.098 -1.001 . . . . 0.0 112.804 -164.073 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.34 -163.24 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.268 -0.895 . . . . 0.0 112.723 172.698 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -73.4 0.63 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.236 -0.915 . . . . 0.0 110.05 154.811 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.47 11.32 2.06 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -161.381 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.09 32.92 19.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.068 -1.02 . . . . 0.0 113.202 -173.046 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.78 63.87 1.72 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.047 0.939 . . . . 0.0 112.613 154.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.59 -32.4 2.87 Favored Glycine 0 CA--C 1.571 3.589 0 O-C-N 121.298 -0.876 . . . . 0.0 115.224 -162.446 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 131.38 32.31 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.175 -1.191 . . . . 0.0 113.859 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.944 HG22 ' HB2' ' B' ' 62' ' ' GLU . 53.6 mt -105.96 145.78 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.208 -0.932 . . . . 0.0 110.2 -158.139 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -120.22 176.93 5.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.958 -1.089 . . . . 0.0 112.838 167.422 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.454 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -59.1 -36.56 75.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.046 -1.034 . . . . 0.0 111.957 -157.804 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -77.58 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.573 1.149 . . . . 0.0 113.821 167.168 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.944 ' HB2' HG22 ' B' ' 58' ' ' ILE . 5.0 mm-40 -31.01 -43.58 0.05 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 168.228 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.692 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 44.2 t80 -57.77 -46.31 84.73 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.188 -0.945 . . . . 0.0 111.86 179.224 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.82 -32.97 74.91 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.278 -0.889 . . . . 0.0 111.763 -176.219 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.55 -36.72 21.94 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 -178.268 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 2.5 ttm -53.48 -50.54 65.12 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.235 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -54.45 18.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.262 -0.899 . . . . 0.0 110.541 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -40.53 22.6 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -166.457 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.94 -161.55 20.16 Favored Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.137 -0.977 . . . . 0.0 115.105 165.181 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 p -94.36 132.28 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.174 -1.192 . . . . 0.0 108.539 -174.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -90.53 17.67 7.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.181 -0.949 . . . . 0.0 111.958 176.504 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.411 0 O-C-N 121.248 -0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -90.73 104.65 17.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.523 -0.736 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -79.34 85.5 5.16 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.186 -0.946 . . . . 0.0 112.427 -160.539 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -117.35 42.54 2.54 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.254 -0.904 . . . . 0.0 111.721 169.803 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.91 -68.27 0.34 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.23 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -25.92 53.92 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -171.148 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mp -74.92 -21.95 58.9 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.134 0.974 . . . . 0.0 111.743 169.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.32 -56.4 6.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 164.527 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -39.29 -60.38 0.92 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.218 -0.926 . . . . 0.0 113.203 163.948 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.48 -43.51 79.71 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.843 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.2 -44.78 94.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.133 -0.979 . . . . 0.0 112.32 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -30.77 43.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.13 -0.981 . . . . 0.0 112.868 178.089 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -66.3 -37.77 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 124.198 0.999 . . . . 0.0 110.334 176.695 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -63.61 -30.68 71.76 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.967 0.907 . . . . 0.0 110.396 -174.059 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -74.18 133.38 42.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.229 -0.919 . . . . 0.0 112.808 -163.419 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -69.23 -58.4 4.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.189 -0.944 . . . . 0.0 109.298 175.641 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 8.6 t-20 -88.51 -28.94 20.47 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.574 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 78.18 50.03 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 167.624 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.29 10.38 34.37 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.205 -0.935 . . . . 0.0 112.712 160.411 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.15 17.12 67.76 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.083 -1.01 . . . . 0.0 115.099 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -116.24 164.13 14.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.281 -1.129 . . . . 0.0 111.672 -176.398 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.702 HG22 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -102.49 131.66 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.126 -0.984 . . . . 0.0 110.288 163.581 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 162.12 14.18 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.186 -0.946 . . . . 0.0 112.641 -178.762 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -12.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.9 . . . . 0.0 110.488 174.194 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -77.76 -37.1 49.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.559 -1.338 . . . . 0.0 113.742 169.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.702 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -75.22 -48.38 23.72 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -173.27 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD13 HG12 ' B' ' 43' ' ' ILE . 2.4 tm? -36.79 -69.4 0.11 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.078 1.351 . . . . 0.0 112.075 177.225 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -56.8 -41.84 91.24 Favored Glycine 0 CA--C 1.571 3.545 0 O-C-N 121.097 -1.002 . . . . 0.0 115.147 -169.074 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -33.93 59.1 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.2 -1.176 . . . . 0.0 113.869 -178.745 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.16 -66.5 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 164.58 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 27' ' ' LEU . 1.3 pp -59.15 -13.21 6.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.987 -1.07 . . . . 0.0 111.686 -169.637 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.526 ' N ' HD13 ' A' ' 31' ' ' LEU . 2.3 tpp85 -96.11 -37.93 10.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.149 -0.969 . . . . 0.0 110.779 172.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -147.5 148.39 31.16 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -165.17 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -133.18 153.86 51.15 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.24 -0.912 . . . . 0.0 109.86 -166.439 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.58 -173.37 25.99 Favored Glycine 0 CA--C 1.572 3.611 0 O-C-N 121.167 -0.958 . . . . 0.0 115.068 160.082 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.436 0 O-C-N 121.194 -1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.66 HG21 ' CB ' ' B' ' 42' ' ' ASP . 1.3 p -155.54 134.15 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -163.57 0.75 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.208 -0.932 . . . . 0.0 109.701 -167.275 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -32.91 65.05 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 160.517 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.97 -20.89 66.72 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.66 ' CB ' HG21 ' B' ' 38' ' ' VAL . 4.5 m-20 -78.99 -41.18 29.66 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.247 -0.908 . . . . 0.0 112.712 179.32 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.597 HG12 HD13 ' A' ' 27' ' ' LEU . 6.2 mt -58.2 -52.41 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.142 -0.974 . . . . 0.0 110.221 164.477 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.23 -30.75 71.66 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.74 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.95 -28.48 57.96 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.045 0.938 . . . . 0.0 112.7 174.281 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.73 -47.03 56.54 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 167.622 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.697 ' HE3' HG13 ' B' ' 58' ' ' ILE . 7.4 tpt -86.57 19.38 2.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.852 -1.155 . . . . 0.0 112.076 170.897 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -48.12 4.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.233 -0.917 . . . . 0.0 109.86 157.205 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.56 -49.37 63.57 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.346 -0.846 . . . . 0.0 112.494 -173.189 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -13.89 59.87 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.263 -0.898 . . . . 0.0 113.053 172.802 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -82.14 16.12 2.09 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.151 -0.968 . . . . 0.0 112.655 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' B' ' 53' ' ' ASN . 0.0 OUTLIER -60.4 -43.64 96.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.21 -0.931 . . . . 0.0 109.971 -166.071 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . 0.413 ' N ' ' HG2' ' B' ' 52' ' ' LYS . 9.1 p30 -71.59 -1.17 12.63 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -168.791 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 62.4 41.68 9.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.752 -1.217 . . . . 0.0 113.232 -176.763 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -109.99 75.23 0.93 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.954 1.301 . . . . 0.0 112.637 154.176 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.97 2.56 0.03 OUTLIER Glycine 0 CA--C 1.571 3.541 0 O-C-N 121.278 -0.889 . . . . 0.0 115.158 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.5 146.64 41.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.277 -1.131 . . . . 0.0 113.843 157.119 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.886 HG22 ' CB ' ' B' ' 62' ' ' GLU . 68.2 mt -104.5 151.89 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.231 -162.148 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -111.51 -170.57 1.67 Allowed 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.38 1.072 . . . . 0.0 112.81 164.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.63 -29.93 67.53 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.817 -1.177 . . . . 0.0 112.065 -171.621 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.93 -83.02 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.122 0 CA-C-O 124.748 2.213 . . . . 0.0 111.41 169.871 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.886 ' CB ' HG22 ' B' ' 58' ' ' ILE . 1.8 mp0 -21.02 -44.18 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.666 162.469 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.87 -51.03 71.44 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.823 0.82 . . . . 0.0 111.642 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.05 -31.55 70.08 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.649 1.18 . . . . 0.0 111.817 176.132 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -37.59 69.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.112 -0.993 . . . . 0.0 109.294 171.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.661 ' HE2' HD11 ' B' ' 58' ' ' ILE . 1.5 ttp -74.18 -31.31 62.63 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -82.19 0.05 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.22 -0.925 . . . . 0.0 110.585 160.427 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -44.3 97.23 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -164.495 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.1 -94.33 0.07 OUTLIER Glycine 0 CA--C 1.573 3.677 0 N-CA-C 115.84 1.096 . . . . 0.0 115.84 154.074 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.56 102.67 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.508 1.123 . . . . 0.0 109.082 -153.739 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -36.26 112.18 0.17 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.417 -0.802 . . . . 0.0 111.843 155.521 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.377 0 O-C-N 121.247 -0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.37 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -132.62 52.47 2.08 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.547 -0.72 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -155.47 -76.32 0.1 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.341 -0.849 . . . . 0.0 112.355 -173.918 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.1 OUTLIER -83.71 -19.36 35.37 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.326 -0.859 . . . . 0.0 112.159 169.222 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.99 -37.0 85.39 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.821 -1.174 . . . . 0.0 113.863 -161.136 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -46.1 13.58 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -177.574 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.77 HD11 HD22 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -63.17 -13.14 33.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.175 -0.953 . . . . 0.0 111.785 166.454 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.77 -46.43 11.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 171.408 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -50.94 -43.3 60.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.264 -0.898 . . . . 0.0 113.243 162.639 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.9 56.06 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.648 ' HE1' HG13 ' A' ' 22' ' ' ILE . 16.7 t80 -68.44 -35.42 77.58 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.232 -0.918 . . . . 0.0 112.205 173.633 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -66.18 -40.38 90.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.927 165.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -71.57 -28.17 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 124.328 1.051 . . . . 0.0 110.272 -173.218 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.6 ' HD2' ' CE2' ' B' ' 63' ' ' PHE . 5.5 m-85 -73.8 -43.53 58.61 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.059 0.944 . . . . 0.0 110.412 174.436 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -70.57 125.07 25.78 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.227 -0.92 . . . . 0.0 112.786 -175.061 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.93 83.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.066 -1.022 . . . . 0.0 109.221 -165.723 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -114.16 0.47 14.25 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.28 46.99 12.03 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 163.183 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -87.26 8.63 23.33 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.216 -0.928 . . . . 0.0 112.677 161.407 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.05 35.15 71.1 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.19 -0.944 . . . . 0.0 115.141 -178.221 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.23 158.57 33.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.294 -1.121 . . . . 0.0 111.629 169.824 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.648 HG13 ' HE1' ' A' ' 11' ' ' PHE . 1.8 mt -109.1 153.16 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.015 -1.053 . . . . 0.0 110.22 160.109 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -129.54 167.61 17.64 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.031 -1.043 . . . . 0.0 112.726 168.686 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.624 HD13 HG21 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -61.18 -30.46 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.256 -0.903 . . . . 0.0 110.156 -178.806 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -23.09 39.48 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.873 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.77 -29.05 61.0 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 164.225 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.588 HD22 ' C ' ' A' ' 27' ' ' LEU . 2.1 tt -63.57 -70.06 0.24 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.105 -0.997 . . . . 0.0 111.872 -163.078 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.65 -28.79 47.08 Favored Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.223 -0.923 . . . . 0.0 115.118 178.663 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.79 -45.74 88.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -1.168 . . . . 0.0 113.908 171.186 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 HG13 ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -50.73 -57.27 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.147 -0.971 . . . . 0.0 110.203 168.193 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.514 HD13 HD13 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -60.95 -15.76 34.91 Favored 'General case' 0 CA--C 1.574 1.895 0 O-C-N 121.134 -0.979 . . . . 0.0 111.42 -176.577 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -119.28 -2.11 10.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.234 -0.916 . . . . 0.0 111.392 -177.293 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.3 -24.89 1.34 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 178.739 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.7 p -77.54 151.55 34.47 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.107 -0.996 . . . . 0.0 109.725 -172.112 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.11 -142.35 6.64 Favored Glycine 0 CA--C 1.571 3.559 0 O-C-N 121.157 -0.964 . . . . 0.0 115.091 161.812 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.394 0 O-C-N 121.216 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.338 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -89.66 162.29 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 12.2 p -130.99 -177.87 4.57 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.172 -0.955 . . . . 0.0 109.704 169.649 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -31.76 73.04 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 175.359 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -16.11 61.82 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.365 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.88 -33.85 22.71 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.227 -0.921 . . . . 0.0 112.698 168.725 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.624 HG21 HD13 ' A' ' 24' ' ' ILE . 9.1 mm -57.58 -39.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.069 -1.02 . . . . 0.0 110.226 161.808 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -34.38 71.31 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.731 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -59.58 -48.61 80.99 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.0 112.679 167.109 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -74.11 -45.19 50.57 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.661 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.728 ' HE2' HD13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -86.73 5.62 35.41 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.045 -1.035 . . . . 0.0 112.159 -179.518 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -33.04 12.0 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.257 -0.902 . . . . 0.0 110.084 157.071 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.15 -23.94 65.84 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.565 -0.71 . . . . 0.0 112.442 -178.78 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -102.11 -43.87 5.62 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.338 -0.851 . . . . 0.0 112.923 171.851 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.89 -3.32 50.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.222 -0.924 . . . . 0.0 112.755 -155.202 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 16.51 0.14 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.136 -0.978 . . . . 0.0 110.497 -161.092 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.58 9.18 1.14 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 113.612 164.114 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 m120 60.23 35.87 20.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.916 -1.115 . . . . 0.0 113.27 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.71 67.06 0.75 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.001 1.32 . . . . 0.0 112.565 154.541 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.4 1.05 Allowed Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.183 0.833 . . . . 0.0 115.183 -166.203 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -101.72 154.89 18.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -1.172 . . . . 0.0 113.821 174.526 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.999 HG22 ' HB2' ' B' ' 62' ' ' GLU . 14.2 mt -107.34 149.72 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.171 -0.955 . . . . 0.0 110.195 -154.454 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -125.06 -175.85 3.41 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.095 -1.003 . . . . 0.0 112.866 169.585 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.456 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -59.46 -40.81 88.06 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.79 -1.194 . . . . 0.0 112.322 -163.801 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -78.46 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.768 -1.207 . . . . 0.0 113.604 166.124 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.999 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.5 mt-10 -34.27 -39.86 0.08 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 172.449 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.6 ' CE2' ' HD2' ' A' ' 14' ' ' PHE . 52.4 t80 -57.02 -54.01 51.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.596 -1.315 . . . . 0.0 112.175 175.536 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.77 HD22 HD11 ' A' ' 7' ' ' LEU . 53.1 mt -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.302 -0.874 . . . . 0.0 111.767 -178.408 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -81.48 -44.6 17.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -178.284 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 14.8 ttp -60.3 -33.57 72.56 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -85.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.191 -0.943 . . . . 0.0 110.531 161.447 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -94.51 -20.35 19.73 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -155.456 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.79 4.47 57.8 Favored Glycine 0 CA--C 1.572 3.644 0 O-C-N 121.179 -0.95 . . . . 0.0 115.141 -162.167 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.405 ' O ' HG13 ' B' ' 70' ' ' VAL . 0.9 OUTLIER -109.51 99.79 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.234 -1.157 . . . . 0.0 108.498 -158.356 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -143.79 -80.3 0.19 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.231 -0.918 . . . . 0.0 111.98 -176.038 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.474 0 O-C-N 121.132 -0.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.377 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 165.53 27.27 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.307 1.043 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.2 95.88 7.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.328 -0.857 . . . . 0.0 112.389 178.255 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' HG2' ' CZ ' ' B' ' 60' ' ' PHE 0.258 7.5 tt0 -56.73 -24.89 52.89 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.191 -0.943 . . . . 0.0 111.935 176.809 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.796 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 4.0 tt0 -55.38 -44.33 75.97 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -157.522 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.66 -51.94 8.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.403 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.994 HD11 HD22 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -46.92 -46.15 21.09 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.144 -0.973 . . . . 0.0 111.675 160.222 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.796 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -42.24 -69.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 166.417 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -48.33 -48.94 35.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.198 -0.939 . . . . 0.0 113.254 178.571 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.08 70.82 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.438 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.692 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 69.7 t80 -72.41 -30.81 64.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.132 -0.98 . . . . 0.0 112.132 173.504 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -69.31 -49.86 51.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.108 -0.995 . . . . 0.0 112.869 162.724 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.125 0.97 . . . . 0.0 110.306 -167.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.468 ' HB3' HD12 ' A' ' 30' ' ' ILE . 12.8 m-85 -63.0 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.28 -0.888 . . . . 0.0 110.395 162.202 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -46.7 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.191 -0.943 . . . . 0.0 112.846 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 36.59 0.97 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.14 -0.975 . . . . 0.0 109.408 -165.345 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -165.02 -32.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.13 37.45 0.98 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 157.669 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -54.58 -28.85 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.22 -0.925 . . . . 0.0 112.748 156.517 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.97 -39.05 0.96 Allowed Glycine 0 CA--C 1.572 3.627 0 O-C-N 121.202 -0.936 . . . . 0.0 115.138 -179.515 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -109.82 173.27 6.4 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.256 -1.143 . . . . 0.0 111.774 -158.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.537 HD11 ' HD2' ' B' ' 63' ' ' PHE . 18.1 mt -112.87 141.65 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.955 -1.091 . . . . 0.0 110.297 164.617 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.85 164.43 20.04 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.16 -0.963 . . . . 0.0 112.699 -169.346 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.476 HD12 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.81 -21.76 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.198 -0.939 . . . . 0.0 110.339 -179.274 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.9 -31.59 63.19 Favored 'General case' 0 CA--C 1.573 1.827 0 O-C-N 120.899 -1.126 . . . . 0.0 113.715 169.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -74.05 -29.36 61.86 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 165.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 28' ' ' GLY . 2.2 tm? -51.78 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.109 0.964 . . . . 0.0 111.903 -178.149 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.59 ' N ' HD12 ' A' ' 27' ' ' LEU . . . -51.69 -29.81 26.45 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.138 -0.976 . . . . 0.0 115.11 -177.14 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.66 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 10.4 tt0 -80.49 -29.42 37.37 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -1.131 . . . . 0.0 113.866 -179.206 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.468 HD12 ' HB3' ' A' ' 14' ' ' PHE . 61.8 mt -53.81 -71.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.216 -0.928 . . . . 0.0 110.248 155.391 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.21 -11.81 58.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.192 -0.942 . . . . 0.0 111.728 -163.729 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -106.38 -20.41 13.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 110.833 174.547 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.66 ' HB1' ' O ' ' A' ' 29' ' ' GLU . . . -39.43 150.32 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 179.541 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -82.46 -171.37 3.43 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.165 -0.959 . . . . 0.0 109.752 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.32 24.87 32.64 Favored Glycine 0 CA--C 1.572 3.622 0 O-C-N 121.2 -0.938 . . . . 0.0 115.076 -157.01 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.366 0 O-C-N 121.268 -1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.329 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 t 74.14 98.68 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.73 -156.75 0.75 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.169 -0.957 . . . . 0.0 109.728 -166.842 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.87 -25.56 68.35 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -165.273 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -67.18 -49.68 63.77 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.022 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.99 -42.97 99.99 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 112.638 178.4 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.505 HG23 HD11 ' A' ' 27' ' ' LEU . 5.5 mm -65.46 -32.42 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.255 -0.903 . . . . 0.0 110.272 176.605 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -41.51 92.35 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.153 -0.967 . . . . 0.0 113.555 168.234 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.46 -40.33 68.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.391 -0.818 . . . . 0.0 112.651 172.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -51.64 66.85 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 162.325 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.48 20.73 1.62 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.83 -1.169 . . . . 0.0 112.049 -166.433 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -136.81 -26.67 1.05 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.462 -0.773 . . . . 0.0 110.819 160.474 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.55 -25.27 66.04 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.091 -1.006 . . . . 0.0 112.251 167.366 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -98.31 -59.7 1.7 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.399 -0.813 . . . . 0.0 112.973 158.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.25 142.78 30.88 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.276 -0.89 . . . . 0.0 112.868 -154.311 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 115.06 18.35 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.138 -0.976 . . . . 0.0 109.865 153.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.39 -57.77 4.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 113.148 -154.596 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 42.74 89.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -157.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 0.83 54.29 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.725 -152.682 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.14 40.27 8.07 Favored Glycine 0 CA--C 1.572 3.616 0 O-C-N 121.236 -0.915 . . . . 0.0 115.134 154.437 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -141.92 136.55 30.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.248 -1.148 . . . . 0.0 113.927 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.769 HG22 ' HB2' ' B' ' 62' ' ' GLU . 74.3 mt -110.43 139.18 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.229 -0.919 . . . . 0.0 110.307 -169.524 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -115.68 177.39 4.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.903 -1.123 . . . . 0.0 112.804 167.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.428 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -59.48 -37.2 77.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.848 -1.158 . . . . 0.0 112.196 -161.9 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.57 -78.9 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.688 0 O-C-N 120.849 -1.157 . . . . 0.0 113.746 164.659 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.769 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.2 mt-10 -35.05 -31.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 171.52 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.692 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 38.1 t80 -62.05 -54.02 47.29 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.49 -1.382 . . . . 0.0 111.978 172.552 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.994 HD22 HD11 ' A' ' 7' ' ' LEU . 62.6 mt -59.13 -28.1 66.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 111.773 -177.115 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -88.33 -41.59 12.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.174 -0.954 . . . . 0.0 109.362 -178.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.3 ttp -50.61 -41.31 54.73 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 170.119 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.5 tpt -79.83 -60.83 2.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.919 . . . . 0.0 110.555 175.469 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.99 -20.58 13.49 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -159.476 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -32.01 148.24 0.01 OUTLIER Glycine 0 CA--C 1.572 3.599 0 O-C-N 121.158 -0.964 . . . . 0.0 115.128 164.394 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.741 HG13 ' HN1' ' B' ' 72' ' ' NH2 . 77.3 t -119.43 154.09 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.275 -1.132 . . . . 0.0 108.494 158.277 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -120.12 22.28 11.48 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.147 -0.97 . . . . 0.0 112.127 176.591 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . 0.741 ' HN1' HG13 ' B' ' 70' ' ' VAL . . . . . . . . 0 C--N 1.345 0.396 0 O-C-N 121.222 -0.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -87.78 168.4 12.98 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.562 -0.711 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 p -41.76 98.42 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.235 -0.916 . . . . 0.0 112.349 168.154 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 4.7 pt-20 -156.55 -34.72 0.08 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.238 -0.914 . . . . 0.0 111.87 165.203 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.89 -17.92 56.77 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.361 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.62 -19.54 18.23 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 178.023 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 1.1 mt -73.09 -17.31 61.42 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.985 0.914 . . . . 0.0 111.754 155.312 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -85.09 -34.69 22.17 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 170.386 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -70.41 -31.81 69.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.214 -0.929 . . . . 0.0 113.291 163.596 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -69.99 -41.7 74.05 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.543 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.716 ' HE1' HG13 ' A' ' 22' ' ' ILE . 5.9 t80 -70.81 -37.85 73.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.303 -0.873 . . . . 0.0 112.06 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 112.881 164.561 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -64.34 -31.24 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 123.952 0.901 . . . . 0.0 110.343 -171.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.523 ' CE2' HG22 ' A' ' 30' ' ' ILE . 3.1 m-30 -70.74 -35.82 72.85 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.395 173.102 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -78.31 102.33 7.63 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.212 -0.93 . . . . 0.0 112.849 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.665 ' HE3' HD22 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -93.77 21.85 6.11 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.153 -0.967 . . . . 0.0 109.784 -168.02 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.665 HD22 ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -139.26 -27.45 0.8 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 168.338 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.63 54.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 156.524 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.16 11.47 31.26 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.423 1.089 . . . . 0.0 112.715 158.93 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.31 71.43 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.071 -1.018 . . . . 0.0 115.15 175.287 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.54 169.43 10.68 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.258 -1.142 . . . . 0.0 111.719 178.081 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' HE1' ' A' ' 11' ' ' PHE . 8.0 mt -113.22 160.61 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.193 -0.942 . . . . 0.0 110.233 163.887 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.27 167.41 10.21 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.12 -0.987 . . . . 0.0 112.679 167.161 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.567 HD11 ' SD ' ' B' ' 47' ' ' MET . 3.3 tt -62.19 -30.56 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.097 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -74.14 -33.92 63.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' O ' HD11 ' A' ' 30' ' ' ILE . 62.6 mt-10 -70.78 -36.64 73.15 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 170.733 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.875 HD13 HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -43.34 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.904 . . . . 0.0 111.903 -179.656 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.23 -43.51 4.64 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.177 -0.952 . . . . 0.0 115.134 -172.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -27.9 48.68 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.245 -1.15 . . . . 0.0 113.925 -173.349 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -53.58 -60.46 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.244 -0.91 . . . . 0.0 110.174 156.594 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.875 HD12 HD13 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -54.66 -31.98 58.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.146 -0.971 . . . . 0.0 111.367 -173.523 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.473 ' HD2' HG22 ' B' ' 38' ' ' VAL . 0.3 OUTLIER -79.01 -54.41 6.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.819 . . . . 0.0 110.774 -176.83 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.82 -162.61 0.5 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -169.231 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 p -138.45 -54.2 0.62 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.238 -0.914 . . . . 0.0 109.835 -162.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.74 154.09 21.32 Favored Glycine 0 CA--C 1.571 3.589 0 O-C-N 121.205 -0.935 . . . . 0.0 115.109 -165.436 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.381 0 O-C-N 121.207 -1.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.473 HG22 ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -148.27 97.49 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 . . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.489 HG23 ' H ' ' B' ' 42' ' ' ASP . 0.9 OUTLIER -88.95 166.03 14.2 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.26 -0.9 . . . . 0.0 109.762 -172.175 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.446 ' N ' ' CG2' ' B' ' 39' ' ' THR . 7.6 mm-40 -60.69 -58.18 9.55 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 166.059 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.66 -19.03 64.57 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.489 ' H ' HG23 ' B' ' 39' ' ' THR . 13.9 m-20 -84.57 -42.21 15.69 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 112.64 178.372 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.04 -26.75 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.265 -0.897 . . . . 0.0 110.278 167.352 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -31.82 36.57 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 173.247 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.36 -41.95 99.01 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.244 -0.91 . . . . 0.0 112.666 169.595 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -76.68 -43.86 36.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.242 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.567 ' SD ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -86.56 13.71 8.04 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 112.224 178.36 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -28.55 7.68 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.219 -0.926 . . . . 0.0 110.113 163.697 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.34 -38.54 85.02 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.859 -1.151 . . . . 0.0 112.474 165.024 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.9 t -101.82 -28.53 12.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.24 -0.913 . . . . 0.0 112.837 -168.546 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.12 99.71 0.1 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.265 -0.897 . . . . 0.0 112.719 178.64 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -60.28 -75.18 0.06 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.238 -0.914 . . . . 0.0 109.987 169.548 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -68.96 -3.8 14.24 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.25 -0.906 . . . . 0.0 113.308 -156.254 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.9 m120 50.52 25.82 2.14 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.082 -1.011 . . . . 0.0 113.289 177.619 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.23 -17.71 23.35 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.257 -0.902 . . . . 0.0 112.812 163.14 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.34 19.82 17.42 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 120.889 -1.132 . . . . 0.0 115.225 170.16 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.6 147.93 28.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.16 -1.2 . . . . 0.0 113.849 -168.464 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.756 HG22 ' HB2' ' B' ' 62' ' ' GLU . 61.0 mt -108.36 155.83 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.162 -0.961 . . . . 0.0 110.154 -160.103 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -131.28 -173.2 3.04 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.186 0.994 . . . . 0.0 112.783 165.164 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.57 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 3.9 t80 -64.55 -40.31 95.34 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.797 -1.189 . . . . 0.0 112.116 -156.094 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -76.82 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.689 0 O-C-N 120.852 -1.155 . . . . 0.0 113.551 166.079 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.756 ' HB2' HG22 ' B' ' 58' ' ' ILE . 0.3 OUTLIER -29.13 -49.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 169.24 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -53.45 -45.57 69.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.447 -0.783 . . . . 0.0 112.194 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.74 -35.1 78.68 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.219 -0.925 . . . . 0.0 111.784 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -88.98 -40.94 12.67 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.158 -0.963 . . . . 0.0 109.35 -171.577 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.691 ' HE3' HD12 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -60.03 -17.82 41.73 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 168.817 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -77.1 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.191 -0.943 . . . . 0.0 110.559 171.119 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.29 -37.63 83.89 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -174.828 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.4 70.2 0.85 Allowed Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.231 -0.918 . . . . 0.0 115.075 161.312 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -86.97 171.53 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.297 -1.119 . . . . 0.0 108.528 -169.241 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -140.04 140.14 36.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.208 -0.932 . . . . 0.0 111.991 157.101 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.382 0 O-C-N 121.212 -0.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.294 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -83.13 105.97 14.54 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.546 -0.722 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.463 ' HG ' ' HG2' ' A' ' 4' ' ' GLU . 18.5 t -110.48 -74.22 0.66 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.291 -0.881 . . . . 0.0 112.389 -160.76 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.463 ' HG2' ' HG ' ' A' ' 3' ' ' SER 0.258 5.6 pt-20 -157.11 -33.42 0.08 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.228 -0.92 . . . . 0.0 111.824 -164.366 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.776 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 4.5 tt0 -54.02 -30.3 47.05 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -165.764 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -86.14 -56.02 3.65 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -172.264 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.555 HD21 HD22 ' B' ' 64' ' ' LEU . 2.9 mp -52.1 -13.96 0.37 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.23 -0.919 . . . . 0.0 111.769 158.096 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.776 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -76.49 -50.17 14.68 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 168.887 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.77 -43.85 94.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 113.203 168.223 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -36.43 84.06 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 176.581 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.794 ' HE1' HG13 ' A' ' 22' ' ' ILE . 4.9 t80 -72.78 -34.6 67.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.289 -0.882 . . . . 0.0 112.181 177.364 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HA ' ' HD3' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -62.03 -44.98 95.54 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.209 -0.932 . . . . 0.0 112.94 161.196 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -79.3 -33.01 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 C-N-CA 124.41 1.084 . . . . 0.0 110.181 -163.701 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -55.43 -39.89 70.84 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.271 -0.893 . . . . 0.0 110.41 166.766 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -78.47 138.6 38.53 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.179 -0.951 . . . . 0.0 112.807 -168.124 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.696 ' HG2' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.05 -63.95 0.95 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.088 -1.007 . . . . 0.0 109.26 165.775 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.696 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 48.5 t-20 -90.31 -36.93 14.39 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -156.914 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 73.33 36.72 0.79 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 170.315 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.02 4.49 8.27 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.285 -0.884 . . . . 0.0 112.957 155.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.83 -4.99 57.94 Favored Glycine 0 CA--C 1.57 3.514 0 O-C-N 120.721 -1.237 . . . . 0.0 115.359 167.683 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -118.13 152.41 35.67 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.087 -1.243 . . . . 0.0 111.757 -175.645 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.794 HG13 ' HE1' ' A' ' 11' ' ' PHE . 5.6 mt -104.09 133.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.074 -1.016 . . . . 0.0 110.28 165.904 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -102.23 168.83 9.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.149 -0.969 . . . . 0.0 112.79 178.394 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -66.03 -25.15 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.283 -0.886 . . . . 0.0 110.364 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.21 -40.19 90.17 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.856 -1.153 . . . . 0.0 113.645 169.547 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -43.53 76.72 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 177.447 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD21 HD12 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -47.44 -70.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.48 1.112 . . . . 0.0 111.954 -175.872 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.701 ' CA ' HD13 ' A' ' 31' ' ' LEU . . . -27.79 -52.82 0.1 OUTLIER Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.098 -1.001 . . . . 0.0 115.152 163.184 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -73.08 -30.29 63.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.286 -1.126 . . . . 0.0 113.868 -172.628 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -60.76 -61.3 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.224 -0.923 . . . . 0.0 110.254 165.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.701 HD13 ' CA ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.46 -31.39 23.11 Favored 'General case' 0 CA--C 1.575 1.913 0 O-C-N 121.206 -0.934 . . . . 0.0 111.317 -178.683 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -101.35 -32.63 10.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.4 -0.813 . . . . 0.0 110.84 -165.23 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.23 145.39 41.09 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.394 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.6 t -162.86 55.09 0.2 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.21 -0.931 . . . . 0.0 109.757 164.281 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.61 116.8 1.1 Allowed Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.258 -0.902 . . . . 0.0 115.128 -168.227 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.26 -1.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 90.1 t 59.58 78.52 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.419 ' O ' HD12 ' B' ' 43' ' ' ILE . 81.4 p -141.22 -178.0 5.39 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.236 -0.915 . . . . 0.0 109.733 -167.171 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -29.7 36.79 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.013 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.99 -31.69 71.58 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -179.242 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.59 -42.96 93.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.951 . . . . 0.0 112.659 163.642 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.419 HD12 ' O ' ' B' ' 39' ' ' THR . 1.4 mp -62.53 -39.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.148 -0.97 . . . . 0.0 110.26 174.759 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.2 77.39 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.502 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -70.08 -47.71 60.77 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 123.873 0.869 . . . . 0.0 112.7 175.039 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -58.55 -44.07 89.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.549 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -68.89 -36.58 78.24 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.188 -0.945 . . . . 0.0 112.091 179.376 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -31.45 72.08 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.111 0.964 . . . . 0.0 110.245 172.447 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -60.7 -70.68 0.16 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.477 -0.764 . . . . 0.0 112.371 172.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -59.16 -31.3 68.85 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.185 -0.947 . . . . 0.0 112.71 -176.683 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -75.61 142.95 42.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.185 -0.947 . . . . 0.0 112.675 -173.117 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -160.5 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.217 -0.927 . . . . 0.0 109.91 154.858 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.91 -56.58 4.61 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.171 -0.956 . . . . 0.0 113.107 -170.138 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.22 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 157.449 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -34.35 -34.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.629 1.172 . . . . 0.0 112.8 166.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.15 -66.44 0.08 OUTLIER Glycine 0 CA--C 1.57 3.494 0 O-C-N 121.013 -1.054 . . . . 0.0 115.369 167.511 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 mtm-85 -93.21 167.59 11.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.069 -1.253 . . . . 0.0 114.163 -154.198 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.981 HG22 ' HB2' ' B' ' 62' ' ' GLU . 21.4 mt -109.05 138.72 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 C-N-CA 124.013 0.925 . . . . 0.0 110.311 -169.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -130.08 179.64 5.76 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.033 -1.042 . . . . 0.0 112.884 174.543 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.475 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -55.8 -39.9 71.97 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.702 -1.249 . . . . 0.0 112.208 -154.506 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.71 -76.73 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.717 -1.239 . . . . 0.0 113.584 163.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.981 ' HB2' HG22 ' B' ' 58' ' ' ILE . 2.9 mm-40 -32.36 -47.42 0.15 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 169.069 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -54.21 -43.03 70.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.087 -1.008 . . . . 0.0 112.199 179.539 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.555 HD22 HD21 ' A' ' 7' ' ' LEU . 32.8 mt -66.08 -41.21 91.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.235 -0.916 . . . . 0.0 111.772 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.43 ' H ' ' HG2' ' B' ' 65' ' ' LYS . 1.6 mmmm -75.89 -39.4 56.48 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.209 -0.932 . . . . 0.0 109.312 -176.198 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.488 ' HB3' ' HE3' ' B' ' 66' ' ' MET . 33.4 ttp -68.08 -22.9 64.89 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 174.138 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 6.0 tpt -74.56 -38.3 62.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.187 -0.946 . . . . 0.0 110.545 171.468 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -80.84 -28.14 36.22 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.096 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.07 88.0 0.18 Allowed Glycine 0 CA--C 1.572 3.627 0 O-C-N 121.264 -0.897 . . . . 0.0 115.157 159.45 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.03 155.02 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.299 -1.118 . . . . 0.0 108.482 -173.33 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -164.63 111.38 1.02 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.217 -0.927 . . . . 0.0 111.936 -164.423 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.406 0 O-C-N 121.178 -0.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -149.43 93.83 2.12 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.514 -0.741 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p -75.75 99.74 4.49 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.177 -0.952 . . . . 0.0 112.419 -172.212 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER -82.52 12.25 4.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.325 -0.86 . . . . 0.0 111.933 -169.847 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.71 -57.55 10.41 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 167.255 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.67 -33.75 68.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -175.096 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.695 HD11 ' CD2' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -74.15 -28.05 61.13 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.213 1.005 . . . . 0.0 111.746 171.921 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.03 17.18 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 168.626 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -45.21 -49.09 12.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.278 -0.888 . . . . 0.0 113.24 164.554 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.24 79.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 175.215 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.743 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 79.4 t80 -69.95 -44.02 70.39 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.296 -0.877 . . . . 0.0 112.185 -178.932 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -56.85 -51.3 69.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.189 -0.944 . . . . 0.0 112.885 164.041 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.69 -29.27 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 C-N-CA 123.819 0.848 . . . . 0.0 110.327 -169.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.73 -53.62 12.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.299 -0.876 . . . . 0.0 110.408 177.609 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.28 124.36 24.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.185 -0.947 . . . . 0.0 112.76 -165.031 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -43.68 98.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.04 -1.037 . . . . 0.0 109.173 -164.553 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.16 -42.52 6.67 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -173.173 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.4 66.04 0.08 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 156.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -11.9 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.015 0.926 . . . . 0.0 112.891 154.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.41 27.7 1.43 Allowed Glycine 0 CA--C 1.571 3.564 0 O-C-N 120.723 -1.236 . . . . 0.0 115.07 166.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -116.45 164.06 15.13 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -1.089 . . . . 0.0 111.643 166.673 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.924 HG22 ' CD ' ' A' ' 26' ' ' GLU . 1.3 mt -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.029 -1.044 . . . . 0.0 110.236 156.348 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.18 167.69 9.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.044 -1.035 . . . . 0.0 112.717 175.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.573 ' O ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -72.68 -9.67 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 123.885 0.874 . . . . 0.0 110.483 176.75 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -41.12 23.14 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.519 -1.363 . . . . 0.0 113.564 170.061 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.924 ' CD ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -72.92 -43.59 62.21 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.79 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.487 HD22 HD22 ' A' ' 31' ' ' LEU . 8.6 tt -68.11 -44.01 77.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.224 -0.923 . . . . 0.0 111.877 -161.813 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.96 -54.72 17.39 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.2 -0.938 . . . . 0.0 115.168 166.608 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -51.75 -41.63 61.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.303 -1.116 . . . . 0.0 113.87 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -60.57 -63.67 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.253 -0.904 . . . . 0.0 110.217 173.484 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.487 HD22 HD22 ' A' ' 27' ' ' LEU . 4.0 pp -58.2 -5.86 0.54 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.131 -0.981 . . . . 0.0 111.608 -178.01 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -75.9 0.58 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.202 -0.936 . . . . 0.0 110.792 165.372 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.53 -152.83 0.18 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -160.096 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -71.45 147.83 47.46 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.236 -0.915 . . . . 0.0 109.792 -179.46 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' ' 34' ' ' THR . . . -80.75 -148.49 5.73 Favored Glycine 0 CA--C 1.571 3.557 0 O-C-N 121.224 -0.923 . . . . 0.0 115.114 163.567 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.413 0 O-C-N 121.202 -1.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.97 86.89 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 23.0 p -96.72 165.09 12.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.236 -0.915 . . . . 0.0 109.751 -178.594 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 -60.87 -53.58 55.53 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -167.425 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.09 -27.49 65.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -171.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -72.65 -46.46 53.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.228 -0.92 . . . . 0.0 112.699 171.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.428 HG21 HD13 ' A' ' 24' ' ' ILE . 4.1 mm -61.56 -32.3 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.203 -0.936 . . . . 0.0 110.219 174.274 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -38.2 86.62 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.793 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.26 -29.39 68.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.359 -0.838 . . . . 0.0 112.665 170.559 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.0 -51.88 49.54 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 172.059 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.465 ' HE3' HG13 ' B' ' 58' ' ' ILE . 12.8 tpt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.895 -1.128 . . . . 0.0 112.024 -175.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -83.15 -31.26 27.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.271 -0.893 . . . . 0.0 109.932 -177.598 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.27 -41.89 84.77 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.23 -0.919 . . . . 0.0 112.483 171.284 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.7 m -62.95 -32.19 73.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.255 -0.903 . . . . 0.0 112.893 167.641 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -69.01 151.25 46.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.248 -0.908 . . . . 0.0 112.647 -177.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.7 -84.22 0.66 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.958 -1.089 . . . . 0.0 110.26 175.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -78.71 18.56 0.58 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.486 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.5 m120 72.18 36.5 1.09 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.808 1.243 . . . . 0.0 113.162 169.639 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.11 74.58 1.75 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.159 0.984 . . . . 0.0 112.706 154.367 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -39.15 -22.43 0.02 OUTLIER Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.142 -0.974 . . . . 0.0 115.138 167.593 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -125.72 151.38 46.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.217 -1.166 . . . . 0.0 113.949 175.755 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 1.015 HG22 ' HB2' ' B' ' 62' ' ' GLU . 56.6 mt -112.41 148.0 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.223 -0.923 . . . . 0.0 110.518 -167.246 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -121.12 -169.11 1.78 Allowed 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 124.225 1.01 . . . . 0.0 112.794 171.608 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.86 -42.24 97.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.841 -1.162 . . . . 0.0 112.237 -173.409 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.74 -78.49 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.704 0 O-C-N 120.738 -1.226 . . . . 0.0 113.623 167.287 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 1.015 ' HB2' HG22 ' B' ' 58' ' ' ILE . 3.8 mm-40 -33.25 -40.84 0.07 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 171.479 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.743 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 2.3 t80 -57.19 -50.76 71.85 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.818 -1.177 . . . . 0.0 112.067 176.653 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.695 ' CD2' HD11 ' A' ' 7' ' ' LEU . 58.6 mt -65.1 -22.89 67.01 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.293 -0.879 . . . . 0.0 111.755 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -87.36 -40.09 14.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.109 -0.994 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -21.67 28.5 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 167.243 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.18 -82.47 0.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.196 -0.94 . . . . 0.0 110.553 162.23 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.98 -31.28 64.42 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -165.521 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -107.53 36.8 4.16 Favored Glycine 0 CA--C 1.571 3.555 0 O-C-N 121.269 -0.894 . . . . 0.0 115.16 -167.417 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 p -113.96 25.69 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.183 -1.187 . . . . 0.0 108.683 176.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -37.64 5.54 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.877 -1.14 . . . . 0.0 112.065 -158.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.438 0 O-C-N 121.187 -0.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.341 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -71.11 114.47 9.2 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 123.576 0.75 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -156.14 31.8 0.34 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.273 -0.892 . . . . 0.0 112.392 -171.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.5 mt-10 -98.06 -25.05 15.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.212 -0.93 . . . . 0.0 111.848 179.456 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.481 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 4.6 tt0 -50.39 -46.25 56.01 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.113 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.21 -30.75 15.04 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -168.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 26.2 mt -72.18 -15.66 61.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.162 -0.961 . . . . 0.0 111.755 162.581 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.481 ' HB1' ' O ' ' A' ' 5' ' ' GLU . . . -72.25 -59.66 2.62 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.192 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -40.28 -57.06 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.95 0.9 . . . . 0.0 113.238 161.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . . . -56.6 -41.1 76.45 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.324 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.806 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 16.2 t80 -76.31 -30.02 57.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.276 -0.89 . . . . 0.0 112.131 -172.519 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -83.32 -31.24 26.94 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.171 -0.956 . . . . 0.0 112.922 176.647 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.99 -36.59 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.257 1.023 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -61.57 -42.44 98.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.386 -0.821 . . . . 0.0 110.394 173.175 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -73.07 127.85 33.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.2 -0.938 . . . . 0.0 112.824 -173.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.4 -44.82 34.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.113 -0.992 . . . . 0.0 109.333 178.854 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.78 -23.06 15.11 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -162.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.44 44.05 7.48 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 163.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -78.94 -19.67 51.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.236 -0.915 . . . . 0.0 112.717 154.702 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.17 -22.54 3.98 Favored Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.534 0.974 . . . . 0.0 115.534 -177.016 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -114.7 162.12 17.24 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -1.195 . . . . 0.0 111.694 -156.464 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.614 ' CD1' ' HE1' ' A' ' 11' ' ' PHE . 64.1 mt -109.95 143.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 124.078 0.951 . . . . 0.0 110.263 168.713 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -102.46 157.89 16.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.107 -0.996 . . . . 0.0 112.664 175.036 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.57 HD12 ' CG ' ' B' ' 47' ' ' MET . 0.3 OUTLIER -52.01 -30.46 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.434 -0.792 . . . . 0.0 110.08 177.638 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.17 -30.88 43.71 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -174.52 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -73.46 -27.53 61.46 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.376 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 HD21 ' CG2' ' B' ' 43' ' ' ILE . 9.7 tt -42.85 -61.97 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.347 -0.846 . . . . 0.0 111.942 177.804 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.16 -30.65 77.25 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.04 -1.037 . . . . 0.0 115.082 -170.012 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.2 -30.69 49.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.267 -1.137 . . . . 0.0 113.895 171.403 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.03 -58.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.252 -0.905 . . . . 0.0 110.215 168.491 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -50.2 70.62 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.23 -0.919 . . . . 0.0 111.222 176.062 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HD2' ' HA ' ' A' ' 32' ' ' ARG . 5.3 tpt180 -84.62 -41.75 16.06 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.236 -0.915 . . . . 0.0 110.851 -159.903 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.53 -89.34 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -156.297 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 t -128.49 81.81 2.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.158 -0.964 . . . . 0.0 109.784 -165.396 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.78 -141.42 3.13 Favored Glycine 0 CA--C 1.572 3.634 0 O-C-N 121.262 -0.899 . . . . 0.0 115.016 156.366 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 O-C-N 121.211 -1.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . 0.402 ' C ' ' CG1' ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.236 0.347 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.402 ' CG1' ' C ' ' B' ' 37' ' ' ACE . 1.7 p 56.69 79.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 45.5 p -132.86 -141.34 0.2 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.279 -0.888 . . . . 0.0 109.671 -171.237 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.05 -52.09 67.23 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.009 -1.057 . . . . 0.0 113.802 162.666 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -66.51 -36.19 82.11 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -167.388 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.16 -49.33 78.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.204 -0.935 . . . . 0.0 112.656 167.204 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.4 ' CG2' HD21 ' A' ' 27' ' ' LEU . 4.0 mm -64.28 -34.25 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 179.391 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -39.94 91.92 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 174.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -63.3 -35.36 80.09 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.335 -0.853 . . . . 0.0 112.641 169.528 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.55 -53.76 14.8 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.162 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.902 ' HE1' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -96.78 14.99 23.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.852 -1.155 . . . . 0.0 112.107 -174.037 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -112.14 -30.09 7.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 163.315 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -67.45 -63.73 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.867 -1.146 . . . . 0.0 112.459 166.135 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 58.1 m -67.34 -29.47 69.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.121 -0.987 . . . . 0.0 112.882 -178.2 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -82.67 72.34 9.74 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.153 -0.967 . . . . 0.0 112.709 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -67.15 0.56 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -167.562 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.32 9.02 3.46 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -159.43 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 59.37 51.11 6.97 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.036 -1.04 . . . . 0.0 113.303 -169.464 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 67.55 2.1 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.055 0.942 . . . . 0.0 112.668 154.513 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.66 -17.98 1.55 Allowed Glycine 0 CA--C 1.571 3.557 0 O-C-N 121.197 -0.939 . . . . 0.0 115.206 -168.062 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -104.35 138.99 39.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.113 -1.228 . . . . 0.0 113.849 171.512 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.902 ' CD1' ' HE1' ' B' ' 47' ' ' MET . 69.8 mt -109.26 141.76 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.078 -1.014 . . . . 0.0 110.207 -160.69 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -110.06 -174.38 2.48 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.012 -1.055 . . . . 0.0 112.85 -178.665 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.806 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 61.7 t80 -65.0 -42.65 94.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.983 -1.073 . . . . 0.0 112.068 -172.221 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.95 -79.19 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.678 -1.264 . . . . 0.0 113.605 163.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.736 ' HB3' HG22 ' B' ' 58' ' ' ILE . 37.5 mt-10 -35.59 -34.19 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 172.6 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 1.9 t80 -58.69 -49.3 78.06 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.516 -1.365 . . . . 0.0 111.817 174.268 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.13 -28.15 68.9 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 123.836 0.854 . . . . 0.0 111.866 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.625 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.68 -37.7 24.45 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.063 -1.023 . . . . 0.0 109.32 174.127 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -59.73 -66.69 0.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 174.728 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 tpt -48.65 -67.94 0.23 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 110.578 168.698 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -136.01 54.7 1.89 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -162.798 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.77 35.04 2.32 Favored Glycine 0 CA--C 1.571 3.587 0 O-C-N 121.142 -0.974 . . . . 0.0 115.105 155.512 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.42 118.02 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.215 -1.168 . . . . 0.0 108.465 -174.708 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -83.12 120.07 25.3 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.247 -0.908 . . . . 0.0 111.898 170.573 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.444 0 O-C-N 121.09 -1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.1 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.508 -0.745 . . . . 0.0 109.932 . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -159.26 32.79 0.2 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.289 -0.882 . . . . 0.0 112.418 -170.5 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER -122.66 -33.26 3.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.263 -0.898 . . . . 0.0 112.261 -163.803 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -52.12 4.0 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -169.383 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -83.5 -21.86 32.68 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -168.421 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.782 HD11 HD22 ' B' ' 64' ' ' LEU . 0.7 OUTLIER -85.58 -21.38 28.53 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.383 1.073 . . . . 0.0 111.788 172.548 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.857 ' HB3' ' CE2' ' B' ' 60' ' ' PHE . . . -78.63 -52.73 8.03 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 167.355 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -39.33 -49.21 1.96 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.223 -0.923 . . . . 0.0 113.181 161.368 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.93 82.49 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 171.918 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 1.005 ' CZ ' HD12 ' A' ' 22' ' ' ILE . 29.5 t80 -75.3 -26.98 59.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.0 112.028 -174.15 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -6.32 39.29 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 123.928 0.891 . . . . 0.0 113.049 172.847 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -79.73 -31.77 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 C-N-CA 124.26 1.024 . . . . 0.0 110.203 167.222 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.799 ' HD2' HD11 ' A' ' 30' ' ' ILE . 2.8 m-30 -62.59 -70.68 0.19 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.999 0.92 . . . . 0.0 110.491 170.238 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -62.44 118.57 7.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.148 -0.97 . . . . 0.0 112.782 -165.253 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.579 ' HG3' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.79 -32.84 60.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.013 -1.054 . . . . 0.0 109.185 -169.184 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -107.81 -32.79 7.47 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -167.907 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 17' ' ' ASN . . . 68.14 47.19 1.05 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.18 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.85 6.52 4.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.214 -0.929 . . . . 0.0 112.852 154.422 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.448 ' O ' ' HE1' ' A' ' 11' ' ' PHE . . . 98.42 -8.7 62.45 Favored Glycine 0 CA--C 1.571 3.543 0 O-C-N 120.565 -1.335 . . . . 0.0 115.304 162.639 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.772 ' HD2' ' HD3' ' B' ' 57' ' ' ARG . 6.8 m-30 -122.68 170.08 10.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -1.214 . . . . 0.0 111.752 -173.681 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 1.005 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -109.02 151.9 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 124.46 1.104 . . . . 0.0 110.254 163.397 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.28 166.03 18.55 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.013 -1.054 . . . . 0.0 112.715 -175.818 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 tt -68.13 -29.64 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.211 -0.931 . . . . 0.0 110.177 -175.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -76.8 -30.8 56.6 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.463 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.579 ' OE2' ' HG3' ' A' ' 16' ' ' LYS . 93.5 mt-10 -78.2 -29.22 48.29 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.874 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.54 HD11 ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -53.46 -55.45 25.17 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.305 1.042 . . . . 0.0 111.974 -169.022 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.62 -48.06 17.51 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.141 -0.974 . . . . 0.0 115.135 174.042 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.48 -19.42 55.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.232 -1.158 . . . . 0.0 113.879 179.151 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.799 HD11 ' HD2' ' A' ' 14' ' ' PHE . 16.4 mt -60.96 -49.04 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 166.657 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.96 -41.52 71.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.169 -0.957 . . . . 0.0 111.339 168.606 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.551 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 8.1 ptm180 -127.55 41.23 3.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.407 -0.808 . . . . 0.0 110.798 -170.738 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . -45.79 135.21 7.12 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 169.934 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -93.86 -179.09 4.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.17 -0.956 . . . . 0.0 109.682 -171.566 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.54 34.07 0.07 OUTLIER Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.26 -0.9 . . . . 0.0 115.086 167.762 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.409 0 O-C-N 121.181 -1.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.331 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.95 87.06 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.474 HG23 ' H ' ' B' ' 40' ' ' GLU . 0.2 OUTLIER -98.6 179.09 4.8 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.221 -0.924 . . . . 0.0 109.745 -168.268 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.474 ' H ' HG23 ' B' ' 39' ' ' THR . 0.9 OUTLIER -65.88 -41.48 91.5 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 171.014 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.62 -28.81 68.05 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -168.506 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.55 -46.93 87.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.215 -0.928 . . . . 0.0 112.68 164.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -58.97 -53.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.265 -0.897 . . . . 0.0 110.166 -176.009 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.37 70.37 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.341 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -57.58 -35.48 70.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 162.937 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -76.52 -50.69 13.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 47' ' ' MET . . . . . 0.429 ' CE ' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -59.56 -28.48 67.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.88 -1.138 . . . . 0.0 112.075 173.651 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -92.15 -9.96 40.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.352 -0.842 . . . . 0.0 110.606 178.273 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.05 -51.58 52.9 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.199 -1.563 . . . . 0.0 112.409 157.931 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.9 m -100.56 -27.04 13.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.114 -0.992 . . . . 0.0 112.898 -157.246 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -58.27 120.61 9.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.259 -0.9 . . . . 0.0 112.706 166.152 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.04 -1.038 . . . . 0.0 109.939 165.086 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -64.46 -7.38 9.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.148 -0.97 . . . . 0.0 113.248 -163.31 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.79 41.79 24.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.241 -0.912 . . . . 0.0 113.276 164.123 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -89.5 -22.53 22.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.284 -0.885 . . . . 0.0 112.723 159.59 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.75 39.41 4.96 Favored Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.064 -1.022 . . . . 0.0 115.111 169.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.772 ' HD3' ' HD2' ' A' ' 21' ' ' TYR . 13.4 ttm-85 -130.55 129.77 43.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.269 -1.136 . . . . 0.0 113.77 164.012 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.897 HG22 ' HB2' ' B' ' 62' ' ' GLU . 67.0 mt -100.25 122.6 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.215 1.006 . . . . 0.0 110.157 -173.695 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.32 174.44 5.91 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.932 -1.105 . . . . 0.0 112.749 171.775 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.857 ' CE2' ' HB3' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -52.32 -33.33 42.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.923 -1.11 . . . . 0.0 112.132 -166.513 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.02 -83.96 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.812 2.244 . . . . 0.0 111.433 171.464 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.897 ' HB2' HG22 ' B' ' 58' ' ' ILE . 14.3 mm-40 -23.81 -40.17 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.7 165.733 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.708 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 14.2 t80 -61.03 -50.57 72.78 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.495 -0.753 . . . . 0.0 111.782 177.884 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.782 HD22 HD11 ' A' ' 7' ' ' LEU . 17.0 mt -57.63 -29.86 64.9 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 124.403 1.081 . . . . 0.0 111.904 175.853 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -47.54 13.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.079 -1.013 . . . . 0.0 109.392 -178.31 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.529 ' O ' ' HG2' ' B' ' 66' ' ' MET . 3.1 tmm? -75.53 -4.7 41.36 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -179.79 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.19 -41.0 5.46 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.217 -0.927 . . . . 0.0 110.557 168.525 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -147.12 21.59 1.22 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -162.163 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.47 -126.06 2.53 Favored Glycine 0 CA--C 1.572 3.636 0 O-C-N 121.274 -0.891 . . . . 0.0 115.145 170.338 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.88 166.31 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.222 -1.163 . . . . 0.0 108.468 -163.025 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -92.67 142.44 27.37 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.257 -0.902 . . . . 0.0 111.968 164.426 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.383 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.35 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -158.08 40.99 0.27 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.454 -0.779 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -113.89 -27.97 7.56 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.288 -0.883 . . . . 0.0 112.356 168.855 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.0 OUTLIER -55.67 -7.52 0.29 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.231 -0.918 . . . . 0.0 111.847 175.187 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -36.06 -63.66 0.36 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 170.904 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -72.26 -32.85 67.02 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.774 HD21 ' CD2' ' B' ' 64' ' ' LEU . 5.7 mp -73.23 -19.92 60.97 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.137 0.975 . . . . 0.0 111.773 171.129 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.638 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.6 -44.12 17.69 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 174.164 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -61.99 -39.71 93.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.12 -0.988 . . . . 0.0 113.225 164.385 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.71 74.78 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.456 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.573 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 45.5 t80 -74.45 -28.29 60.97 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.045 -1.034 . . . . 0.0 112.041 -170.477 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.2 ptt180 -73.23 -40.77 64.41 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 124.018 0.927 . . . . 0.0 112.981 165.782 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 mm -64.25 -37.27 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -173.297 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -57.35 -62.47 1.75 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 110.367 172.132 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -75.33 138.02 41.51 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.174 -0.954 . . . . 0.0 112.851 -160.392 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -80.58 0.08 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.152 -0.968 . . . . 0.0 109.367 -174.436 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.12 -35.15 61.73 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -162.538 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 82.82 57.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 154.355 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -87.51 20.07 3.06 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.929 0.891 . . . . 0.0 112.736 154.549 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.87 -5.56 58.16 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.095 -1.003 . . . . 0.0 115.37 163.194 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -117.49 153.42 33.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.12 -1.224 . . . . 0.0 111.694 -169.138 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 mt -114.09 113.03 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.151 -0.968 . . . . 0.0 110.259 174.543 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -103.28 170.61 7.85 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.958 -1.089 . . . . 0.0 112.726 -160.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -27.57 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.241 -0.912 . . . . 0.0 110.193 -178.58 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.92 -38.13 46.21 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.729 ' O ' HD11 ' A' ' 30' ' ' ILE . 15.1 mt-10 -80.78 -27.36 36.71 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -177.225 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.987 HD22 HG22 ' B' ' 43' ' ' ILE . 12.0 tp -48.63 -60.67 2.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.287 -0.883 . . . . 0.0 111.929 177.771 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -24.55 60.08 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 121.141 -0.974 . . . . 0.0 115.096 174.843 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -66.24 -46.27 77.73 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.262 -1.14 . . . . 0.0 113.872 164.109 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.729 HD11 ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.85 -54.38 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 177.747 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.838 HD13 ' HB2' ' A' ' 32' ' ' ARG . 3.2 pp -70.05 -33.16 71.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.142 -0.974 . . . . 0.0 111.757 175.796 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.838 ' HB2' HD13 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -123.68 47.98 1.94 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.149 -0.97 . . . . 0.0 110.781 -176.668 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . -83.78 -61.88 1.71 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 161.637 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.99 -74.48 0.57 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.212 -0.93 . . . . 0.0 109.791 -166.767 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.17 42.57 1.75 Allowed Glycine 0 CA--C 1.571 3.58 0 O-C-N 121.257 -0.902 . . . . 0.0 115.137 -168.779 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.231 -1.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.349 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.563 HG11 ' HB2' ' B' ' 42' ' ' ASP . 1.2 t 173.55 139.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 . . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.576 HG21 ' H ' ' B' ' 42' ' ' ASP . 11.5 t -62.94 165.44 6.83 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.254 -0.904 . . . . 0.0 109.779 -165.136 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -65.45 -19.13 65.81 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 161.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.43 ' HA ' ' HB2' ' B' ' 44' ' ' GLU . 11.5 mt-10 -66.07 -19.56 65.89 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.948 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.576 ' H ' HG21 ' B' ' 39' ' ' THR . 39.6 m-20 -88.57 -36.35 16.39 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.249 -0.907 . . . . 0.0 112.666 171.989 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.987 HG22 HD22 ' A' ' 27' ' ' LEU . 1.8 mp -59.52 -34.99 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.125 -0.984 . . . . 0.0 110.166 161.788 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.43 ' HB2' ' HA ' ' B' ' 41' ' ' GLU . 0.3 OUTLIER -69.91 -33.44 72.18 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.54 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -62.89 -53.82 48.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.164 -0.96 . . . . 0.0 112.639 170.486 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tp -52.05 -53.29 43.88 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.111 -0.993 . . . . 0.0 113.677 174.336 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -1.69 54.6 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.706 -1.246 . . . . 0.0 112.144 -161.241 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -102.93 -18.41 15.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.176 -0.953 . . . . 0.0 110.475 164.531 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.99 -79.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.461 -1.4 . . . . 0.0 112.42 158.142 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -61.51 -20.46 63.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.146 -0.971 . . . . 0.0 112.849 -170.837 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -69.63 131.21 44.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.247 -0.908 . . . . 0.0 112.64 162.162 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -74.18 0.66 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.936 176.752 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -76.31 1.56 15.8 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.985 -1.072 . . . . 0.0 113.57 -171.212 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 m120 61.07 41.0 14.38 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.983 -1.073 . . . . 0.0 113.266 -179.224 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.67 63.9 8.22 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.259 -0.9 . . . . 0.0 112.691 154.551 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.42 -32.86 2.88 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.295 -0.878 . . . . 0.0 115.237 -162.216 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.14 123.17 28.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.205 -1.174 . . . . 0.0 113.881 -177.348 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . 0.915 HG22 ' HB2' ' B' ' 62' ' ' GLU . 68.9 mt -99.91 134.15 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.1 -1.0 . . . . 0.0 110.148 -159.686 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -104.87 -169.61 1.64 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.114 -0.992 . . . . 0.0 112.79 167.844 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.638 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 6.2 t80 -71.24 -37.67 71.99 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.877 -1.139 . . . . 0.0 112.233 -166.326 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.725 -1.235 . . . . 0.0 113.741 164.808 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.915 ' HB2' HG22 ' B' ' 58' ' ' ILE . 9.7 mm-40 -35.05 -39.04 0.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 167.714 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 63' ' ' PHE . . . . . 0.573 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 27.4 t80 -59.07 -41.59 88.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.697 -1.252 . . . . 0.0 111.996 177.463 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.774 ' CD2' HD21 ' A' ' 7' ' ' LEU . 44.9 mt -70.2 -31.91 69.58 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.928 0.891 . . . . 0.0 111.755 178.885 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -87.7 -12.32 45.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.134 -0.979 . . . . 0.0 109.362 177.294 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 66' ' ' MET . . . . . 0.746 ' CE ' HD12 ' B' ' 58' ' ' ILE . 2.1 ttp -86.89 -62.45 1.5 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 172.479 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.6 ttm -39.2 -33.36 0.13 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.232 -0.917 . . . . 0.0 110.538 161.432 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -86.33 -102.22 0.07 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 170.077 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.43 134.37 8.25 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.144 -0.972 . . . . 0.0 115.069 -178.179 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.665 HG11 ' HN1' ' B' ' 72' ' ' NH2 . 0.4 OUTLIER -92.82 -170.86 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.221 -1.164 . . . . 0.0 108.552 -166.291 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.586 ' N ' HG11 ' B' ' 70' ' ' VAL . 13.8 pt20 -154.51 19.91 0.47 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.197 -0.939 . . . . 0.0 112.018 171.287 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' B' B ' 72' ' ' NH2 . . . . . 0.665 ' HN1' HG11 ' B' ' 70' ' ' VAL . . . . . . . . 0 C--N 1.345 0.385 0 O-C-N 121.288 -0.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.256 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.062 0.458 . . . . 0.0 111.971 . . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.8 tt0 -73.98 -45.29 51.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.971 -1.081 . . . . 0.0 113.848 -154.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.48 -30.91 17.94 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -176.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.79 -25.58 67.31 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.028 0.931 . . . . 0.0 111.762 159.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -64.19 -71.36 0.18 Allowed 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 166.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -44.75 -37.23 3.63 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.266 -0.896 . . . . 0.0 113.281 171.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.77 83.27 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.753 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 88.4 t80 -72.09 -29.48 64.15 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.804 0.842 . . . . 0.0 112.084 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -79.93 -35.82 37.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.172 -0.955 . . . . 0.0 112.974 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -61.84 -35.88 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 110.298 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.52 -42.55 74.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.24 -0.913 . . . . 0.0 110.427 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -71.65 135.0 46.72 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.262 -0.899 . . . . 0.0 112.805 -164.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -68.96 -76.47 0.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.936 . . . . 0.0 109.302 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 4.4 m-80 -104.86 -20.87 13.44 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -170.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 81.59 54.26 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 157.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -73.64 -20.96 60.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.274 -0.891 . . . . 0.0 112.731 155.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.47 -5.52 5.91 Favored Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.143 -0.973 . . . . 0.0 115.401 165.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -114.24 164.85 13.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.177 -1.19 . . . . 0.0 111.704 -168.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.83 139.14 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 C-N-CA 123.902 0.881 . . . . 0.0 110.19 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -117.81 162.08 18.67 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.119 0.968 . . . . 0.0 112.684 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -25.76 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -75.35 -36.27 61.03 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.979 -1.076 . . . . 0.0 113.783 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.529 ' O ' HD12 ' A' ' 30' ' ' ILE . 88.2 mt-10 -67.85 -33.24 74.37 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 171.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -69.97 -45.29 67.68 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.164 -0.96 . . . . 0.0 111.833 -158.761 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.15 21.09 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.144 -0.972 . . . . 0.0 115.128 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.42 -30.18 70.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.304 -1.115 . . . . 0.0 113.884 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 26' ' ' GLU . 4.3 mp -58.53 -54.66 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.226 -0.921 . . . . 0.0 110.237 162.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.672 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -73.72 6.96 2.76 Favored 'General case' 0 CA--C 1.574 1.882 0 O-C-N 121.146 -0.972 . . . . 0.0 111.719 -177.739 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -71.81 0.47 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.98 -1.075 . . . . 0.0 111.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.876 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -154.56 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -68.45 -39.81 81.33 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.9 -51.4 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.243 -0.911 . . . . 0.0 112.675 166.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.07 -41.51 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.101 -0.999 . . . . 0.0 110.163 170.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -35.69 81.63 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.3 -27.44 60.71 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.039 0.936 . . . . 0.0 112.672 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -43.18 32.45 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.6 ' HE1' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -62.87 -28.08 69.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.105 -0.997 . . . . 0.0 112.102 167.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -88.4 -29.97 19.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.275 -0.891 . . . . 0.0 110.011 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -67.14 -55.86 12.41 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.133 -0.979 . . . . 0.0 112.455 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -26.82 60.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -0.964 . . . . 0.0 112.894 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.11 163.11 26.91 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.201 -0.937 . . . . 0.0 112.675 164.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.17 -60.5 0.53 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.143 -0.973 . . . . 0.0 109.86 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -71.46 -4.6 27.42 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 62.7 43.75 7.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.967 -1.083 . . . . 0.0 113.27 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.73 67.75 2.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.225 -0.922 . . . . 0.0 112.581 154.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.59 -6.0 0.1 OUTLIER Glycine 0 CA--C 1.572 3.618 0 N-CA-C 115.633 1.013 . . . . 0.0 115.633 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 141.31 48.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 114.008 155.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.92 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.1 mt -109.66 135.97 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 C-N-CA 123.979 0.911 . . . . 0.0 110.326 -167.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -105.18 176.24 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.903 -1.123 . . . . 0.0 112.882 165.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.566 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -63.57 -24.61 67.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.689 -1.257 . . . . 0.0 112.138 -168.383 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -83.13 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.149 0 CA-C-O 124.998 2.332 . . . . 0.0 111.3 163.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.92 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.3 mm-40 -25.23 -39.8 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 113.649 -1.614 . . . . 0.0 113.735 165.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.753 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 60.0 t80 -61.03 -49.39 77.59 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.3 -0.875 . . . . 0.0 111.808 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.97 -32.58 66.2 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.407 1.083 . . . . 0.0 111.947 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -97.72 -37.98 9.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 109.692 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.8 ttp -56.78 -28.69 61.7 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 167.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -75.93 -70.33 0.44 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.119 0.968 . . . . 0.0 110.597 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -175.877 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.254 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 . . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -45.14 75.03 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.396 -1.44 . . . . 0.0 113.845 -162.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.23 -47.65 27.13 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -27.92 68.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -0.883 . . . . 0.0 111.765 169.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -63.04 -63.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 171.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -39.25 -64.67 0.44 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.195 -0.941 . . . . 0.0 113.296 161.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.65 38.64 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.74 ' HE1' HG13 ' A' ' 22' ' ' ILE . 13.5 t80 -75.2 -39.49 60.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.236 -0.915 . . . . 0.0 112.105 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -76.46 -31.22 57.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.212 -0.93 . . . . 0.0 112.944 173.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mm -65.41 -41.38 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 123.998 0.919 . . . . 0.0 110.319 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -61.09 -61.52 2.51 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.37 90.23 0.15 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.252 -0.905 . . . . 0.0 112.779 174.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -26.97 68.4 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.142 -0.974 . . . . 0.0 109.202 -161.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.24 -46.5 10.29 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 79.04 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 157.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -23.86 30.11 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.239 -0.913 . . . . 0.0 112.769 159.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.81 -23.26 1.3 Allowed Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.0 -1.062 . . . . 0.0 115.413 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -117.15 155.36 29.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.985 -1.303 . . . . 0.0 111.672 -154.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.74 HG13 ' HE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -104.77 153.47 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.049 -1.032 . . . . 0.0 110.236 158.745 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -115.09 167.78 10.52 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.198 -0.939 . . . . 0.0 112.651 172.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -26.45 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.205 -0.935 . . . . 0.0 110.279 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -72.29 -33.22 67.26 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.989 -1.07 . . . . 0.0 113.74 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.37 -28.75 41.94 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.31 -44.29 83.82 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.162 -0.961 . . . . 0.0 111.873 -165.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.66 -39.21 30.06 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.098 -1.001 . . . . 0.0 115.08 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -64.24 -40.54 96.23 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.237 -1.155 . . . . 0.0 113.905 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mm -53.93 -66.74 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.22 -0.925 . . . . 0.0 110.235 165.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.18 -17.61 64.38 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.109 -0.995 . . . . 0.0 111.717 -164.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -26.13 12.53 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.189 -0.944 . . . . 0.0 110.816 -175.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.765 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -61.59 -32.06 72.15 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -75.61 -47.36 26.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.28 -0.888 . . . . 0.0 112.704 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -42.91 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.975 -1.078 . . . . 0.0 110.114 169.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.3 75.69 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.72 -51.52 69.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.277 -0.89 . . . . 0.0 112.684 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.49 ' C ' HD23 ' B' ' 46' ' ' LEU . 5.2 tt -50.47 -53.72 27.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.076 -1.015 . . . . 0.0 113.662 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 2.0 tpp -65.64 -53.77 36.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.795 -1.19 . . . . 0.0 112.057 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -33.83 71.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.228 -0.92 . . . . 0.0 110.037 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -67.37 -33.31 74.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.516 -0.74 . . . . 0.0 112.449 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.61 20.62 17.62 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.259 -0.901 . . . . 0.0 112.895 168.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -82.73 115.48 21.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.139 -0.976 . . . . 0.0 112.669 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -59.83 -141.77 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.113 -0.992 . . . . 0.0 109.93 156.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -71.29 -56.43 6.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.236 -0.915 . . . . 0.0 113.219 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 68.31 122.38 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 167.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.58 43.82 1.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.127 -0.983 . . . . 0.0 112.578 154.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.03 53.56 Favored Glycine 0 CA--C 1.572 3.615 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 157.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -144.98 153.31 41.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.129 -1.218 . . . . 0.0 114.083 -156.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.9 HG23 ' HB2' ' B' ' 62' ' ' GLU . 46.0 mt -109.82 137.44 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 C-N-CA 123.903 0.881 . . . . 0.0 110.3 -165.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -112.24 178.28 4.36 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.952 -1.092 . . . . 0.0 112.833 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.415 ' CD1' ' CD2' ' A' ' 11' ' ' PHE . 2.0 t80 -57.33 -34.4 68.71 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.115 -0.991 . . . . 0.0 112.017 -166.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -84.31 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.963 2.315 . . . . 0.0 111.436 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.9 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.5 mt-10 -25.03 -36.17 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.65 1.58 . . . . 0.0 113.875 167.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.644 ' HD2' ' CD1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -61.32 -57.96 10.2 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.236 -0.915 . . . . 0.0 111.889 173.14 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.67 -20.38 21.21 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.065 0.946 . . . . 0.0 111.796 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -55.78 4.14 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.18 -0.95 . . . . 0.0 109.497 171.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttm -45.23 -39.52 6.45 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 mmt -75.49 -98.39 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 110.589 162.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -163.289 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 2.2 pt-20 . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.665 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.7 tt0 -37.13 -54.33 1.0 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -176.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.93 -35.35 13.37 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -162.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.52 HD22 HD21 ' B' ' 64' ' ' LEU . 5.2 mp -66.78 -13.32 61.34 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.042 0.937 . . . . 0.0 111.789 157.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -79.56 -54.88 5.46 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 166.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -48.24 -46.97 36.17 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.318 -0.864 . . . . 0.0 113.247 164.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -64.35 -46.26 84.22 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 1.4 t80 -67.58 -35.53 79.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.0 112.169 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 -65.75 -36.71 84.33 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.16 -0.962 . . . . 0.0 112.919 167.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.37 -32.1 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.451 1.1 . . . . 0.0 110.23 -169.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.76 ' CE2' HG23 ' A' ' 30' ' ' ILE . 54.1 m-85 -60.67 -78.27 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 162.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.06 149.36 27.92 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.1 0.96 . . . . 0.0 112.816 -162.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 7.2 mmtp -64.92 -40.68 95.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.1 -1.0 . . . . 0.0 109.226 -165.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.0 t-20 -119.92 -37.16 3.14 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -162.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.61 45.51 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.58 -11.46 59.87 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.938 0.895 . . . . 0.0 112.947 159.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.535 ' O ' ' HD1' ' A' ' 21' ' ' TYR . . . 100.36 25.02 9.04 Favored Glycine 0 CA--C 1.571 3.581 0 O-C-N 120.872 -1.142 . . . . 0.0 115.297 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.535 ' HD1' ' O ' ' A' ' 20' ' ' GLY . 11.5 m-30 -119.82 167.05 12.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.213 -1.169 . . . . 0.0 111.674 163.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 mt -126.13 146.72 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 110.219 161.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -119.45 169.05 10.38 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.096 -1.002 . . . . 0.0 112.697 -174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -38.12 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.226 -0.921 . . . . 0.0 110.23 -177.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.02 -36.51 72.43 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.761 ' O ' HD13 ' A' ' 30' ' ' ILE . 80.0 mt-10 -80.87 -20.71 41.67 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.9 -55.94 21.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.904 . . . . 0.0 111.831 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -20.35 -64.4 0.01 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.179 -0.95 . . . . 0.0 115.224 156.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.53 -33.06 74.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.305 -1.114 . . . . 0.0 113.9 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.761 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.23 -49.55 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.143 -0.973 . . . . 0.0 110.202 168.157 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.78 -34.97 5.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.314 -0.866 . . . . 0.0 111.358 168.002 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -52.33 8.78 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.34 -0.85 . . . . 0.0 110.794 -171.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.269 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.44 -33.96 76.87 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.88 -30.36 40.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.229 -0.919 . . . . 0.0 112.658 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.95 -43.92 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.216 -0.927 . . . . 0.0 110.149 165.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -46.52 72.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.472 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -62.51 -37.83 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.475 -0.766 . . . . 0.0 112.655 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.3 -45.43 84.39 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.97 6.3 42.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -0.982 . . . . 0.0 112.254 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.495 ' HE3' ' HB2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -94.47 -36.28 11.94 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.075 0.95 . . . . 0.0 110.029 155.326 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.5 -71.15 0.22 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 0.0 112.472 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.1 m -74.58 16.6 0.26 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.232 -0.917 . . . . 0.0 113.0 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.33 130.55 39.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.183 -0.948 . . . . 0.0 112.715 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.99 -128.78 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.121 -0.987 . . . . 0.0 109.809 154.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -70.36 -44.56 67.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.919 -1.113 . . . . 0.0 113.329 167.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m120 46.12 95.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.085 -1.01 . . . . 0.0 113.34 -155.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.59 -31.85 71.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.155 -0.965 . . . . 0.0 112.678 162.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.48 -56.37 0.02 OUTLIER Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.215 -0.928 . . . . 0.0 115.18 161.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -125.97 -175.62 3.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.298 -1.119 . . . . 0.0 113.916 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.983 HG23 ' HB2' ' B' ' 62' ' ' GLU . 21.8 mt -108.34 144.6 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 C-N-CA 123.85 0.86 . . . . 0.0 110.262 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -117.07 -168.88 1.55 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.239 1.016 . . . . 0.0 112.773 163.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.55 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -65.49 -30.59 71.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.089 -1.007 . . . . 0.0 112.098 -173.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.45 -83.35 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.939 2.304 . . . . 0.0 111.417 165.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.983 ' HB2' HG23 ' B' ' 58' ' ' ILE . 6.3 mm-40 -24.62 -39.76 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.65 -1.614 . . . . 0.0 113.635 165.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 59.8 t80 -62.34 -49.65 74.76 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.412 -0.805 . . . . 0.0 112.069 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.52 HD21 HD22 ' A' ' 7' ' ' LEU . 30.9 mt -58.12 -41.74 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.288 1.035 . . . . 0.0 111.782 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.6 -29.55 51.97 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.016 -1.053 . . . . 0.0 109.362 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -83.35 -48.45 10.38 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -19.46 64.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.164 -0.96 . . . . 0.0 110.465 172.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 162.684 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 4.6 pt-20 . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -48.41 60.88 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -167.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.96 -34.58 57.58 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -31.21 69.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.244 -0.91 . . . . 0.0 111.714 167.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.662 ' CB ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.46 -43.5 18.78 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -45.4 -52.71 9.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.213 -0.93 . . . . 0.0 113.196 160.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.15 80.23 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 86.6 t80 -76.0 -28.18 57.69 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.878 0.871 . . . . 0.0 111.969 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -79.35 -43.68 23.04 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.295 1.038 . . . . 0.0 112.996 165.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.89 -30.26 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.455 1.102 . . . . 0.0 110.234 -164.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 30' ' ' ILE . 7.7 m-30 -56.03 -59.19 5.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.244 -0.91 . . . . 0.0 110.422 158.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -80.41 140.7 35.88 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.185 -0.947 . . . . 0.0 112.824 -160.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.95 7.37 11.45 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.079 -1.013 . . . . 0.0 109.996 -163.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 7.2 m-20 179.81 83.98 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.192 -1.567 . . . . 0.0 114.536 -153.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 67.08 76.19 0.29 Allowed 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -153.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -55.08 -15.18 1.95 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 123.843 0.857 . . . . 0.0 112.894 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -54.86 -61.76 6.99 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 120.855 -1.153 . . . . 0.0 115.142 169.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 2.0 m-30 -116.17 153.55 31.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.291 -1.123 . . . . 0.0 111.716 -172.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 mt -108.52 144.69 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.152 -0.968 . . . . 0.0 110.236 167.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -115.15 163.11 16.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.196 -0.94 . . . . 0.0 112.721 -174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' B' ' 47' ' ' MET . 1.1 tt -62.95 -31.11 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 110.181 -175.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.65 -30.57 41.3 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.38 -30.53 37.87 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.983 HD23 HD11 ' A' ' 31' ' ' LEU . 9.8 tt -46.5 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.218 -0.926 . . . . 0.0 111.942 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.672 ' HA2' HD12 ' A' ' 31' ' ' LEU . . . -43.1 -41.07 4.61 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.155 -0.966 . . . . 0.0 115.106 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 16.1 mt-10 -72.98 -31.18 64.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.226 -1.161 . . . . 0.0 113.883 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.528 HG21 ' CE2' ' A' ' 14' ' ' PHE . 12.8 mm -54.49 -68.39 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.211 -0.931 . . . . 0.0 110.23 159.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.983 HD11 HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -62.08 -25.11 67.51 Favored 'General case' 0 CA--C 1.574 1.881 0 O-C-N 121.113 -0.992 . . . . 0.0 111.379 -162.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.14 -40.88 3.05 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.295 -0.878 . . . . 0.0 110.803 -170.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -156.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -39.18 85.12 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 172.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.23 -47.14 82.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 170.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mm -56.29 -50.63 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.094 -1.004 . . . . 0.0 110.21 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -38.17 87.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.141 -0.974 . . . . 0.0 113.617 -173.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -76.83 -25.68 53.47 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.145 0.978 . . . . 0.0 112.714 174.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.97 -45.68 73.51 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.683 ' HG2' HD12 ' A' ' 24' ' ' ILE . 1.6 ttt -91.28 15.52 11.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.077 -1.015 . . . . 0.0 112.117 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.91 -37.11 5.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 160.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.43 -45.14 76.94 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.589 -0.694 . . . . 0.0 112.432 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.1 p -77.19 -25.62 52.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 112.867 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.99 141.31 33.38 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.17 -0.956 . . . . 0.0 112.724 -154.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -166.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.224 -0.922 . . . . 0.0 109.89 157.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -72.51 -54.02 10.4 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.178 -0.951 . . . . 0.0 113.138 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 71.88 127.5 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 158.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -65.7 -22.3 66.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.151 -0.968 . . . . 0.0 112.685 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -9.97 0.07 OUTLIER Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.182 -0.949 . . . . 0.0 115.429 156.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -136.41 163.67 29.93 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.119 -1.224 . . . . 0.0 113.815 -160.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.933 HG23 ' HB2' ' B' ' 62' ' ' GLU . 61.1 mt -102.95 155.9 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 124.065 0.946 . . . . 0.0 110.197 -173.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -133.75 177.2 7.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.053 -1.029 . . . . 0.0 112.843 166.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.662 ' HE2' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -54.36 -30.03 50.38 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.03 -1.044 . . . . 0.0 111.977 -163.028 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.89 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 124.931 2.3 . . . . 0.0 111.484 168.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.933 ' HB2' HG23 ' B' ' 58' ' ' ILE . 37.9 mt-10 -28.57 -33.17 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.998 166.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.513 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 2.2 t80 -63.24 -52.21 63.07 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.744 -1.223 . . . . 0.0 111.834 173.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.28 -26.87 63.49 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.478 1.111 . . . . 0.0 111.831 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.656 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -96.78 -19.03 19.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.214 -0.929 . . . . 0.0 109.549 -179.416 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 24.3 ttp -78.91 -49.28 13.09 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.3 tpt -57.07 -62.6 1.64 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.268 -0.895 . . . . 0.0 110.52 162.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.498 1.954 0 C-N-CA 124.554 1.141 . . . . 0.0 114.068 -157.887 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.899 0 CA-C-O 121.202 0.525 . . . . 0.0 111.918 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -38.62 72.95 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -166.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -18.06 15.54 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.771 HD22 ' HE1' ' B' ' 67' ' ' MET . 6.3 mt -69.33 -23.43 63.78 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.258 -0.901 . . . . 0.0 111.747 157.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.59 -52.8 10.79 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -50.37 -43.11 54.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.297 -0.877 . . . . 0.0 113.288 162.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -68.33 -31.52 71.0 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.73 ' HA ' ' HE2' ' B' ' 63' ' ' PHE . 0.6 OUTLIER -75.83 -40.46 54.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.311 -0.868 . . . . 0.0 112.088 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -51.6 -43.7 62.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.211 -0.931 . . . . 0.0 112.898 161.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.83 -34.01 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 C-N-CA 124.32 1.048 . . . . 0.0 110.216 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' A' ' 30' ' ' ILE . 3.3 m-85 -55.92 -43.75 77.63 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.205 -0.934 . . . . 0.0 110.351 163.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.38 167.46 18.11 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.166 -0.959 . . . . 0.0 112.766 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.18 -53.76 0.85 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.113 -0.992 . . . . 0.0 109.192 170.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -94.52 -21.32 18.95 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -167.045 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 77.0 54.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 165.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -75.81 -19.83 58.65 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.032 0.933 . . . . 0.0 112.712 160.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.46 -15.98 49.14 Favored Glycine 0 CA--C 1.571 3.583 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -165.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -115.06 158.32 22.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.03 -1.277 . . . . 0.0 111.736 -163.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.481 HG13 ' CE1' ' A' ' 11' ' ' PHE . 2.8 mt -108.51 123.67 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 C-N-CA 124.168 0.987 . . . . 0.0 110.299 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -106.25 175.85 5.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -63.6 -29.78 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.277 -0.889 . . . . 0.0 110.222 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.72 -34.99 58.09 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -72.51 -36.62 68.4 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.885 HD23 HD23 ' A' ' 31' ' ' LEU . 5.9 tt -79.2 -45.02 20.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.863 -155.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.05 -36.98 92.02 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.15 -0.969 . . . . 0.0 115.105 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -34.49 54.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.256 -1.144 . . . . 0.0 113.88 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' A' ' 14' ' ' PHE . 4.4 mm -48.46 -70.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.151 -0.968 . . . . 0.0 110.184 156.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.938 HD21 HG12 ' B' ' 43' ' ' ILE . 3.6 pp -68.21 -8.98 43.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.192 -0.943 . . . . 0.0 111.696 -163.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -85.87 -49.92 7.51 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.174 -0.954 . . . . 0.0 110.871 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -161.194 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.584 ' HA ' HD12 ' B' ' 43' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -26.94 66.77 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.67 -37.38 70.78 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.305 -0.872 . . . . 0.0 112.692 168.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.938 HG12 HD21 ' A' ' 31' ' ' LEU . 5.7 mt -57.25 -56.05 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.123 -0.985 . . . . 0.0 110.153 172.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.27 86.35 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.25 -42.52 88.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 112.663 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.6 tp -71.72 -44.26 64.45 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 1.5 ttm -73.01 -13.81 61.3 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.194 -0.941 . . . . 0.0 112.02 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -34.49 23.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.221 -0.925 . . . . 0.0 109.92 163.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.32 -34.6 77.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.487 -0.758 . . . . 0.0 112.464 -176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -82.19 -49.57 9.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.331 -0.855 . . . . 0.0 112.84 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.23 147.88 44.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.193 -0.942 . . . . 0.0 112.685 -164.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -112.39 0.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.214 -0.928 . . . . 0.0 109.912 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -71.33 5.48 2.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.536 -1.352 . . . . 0.0 113.418 -161.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 70.62 76.22 0.19 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.919 -1.113 . . . . 0.0 113.246 161.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -95.6 -29.26 14.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.159 -0.963 . . . . 0.0 112.703 157.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.42 35.57 5.17 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.256 -0.903 . . . . 0.0 115.159 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -159.05 131.95 7.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.085 -1.244 . . . . 0.0 114.044 -170.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.834 HG23 ' HB2' ' B' ' 62' ' ' GLU . 79.8 mt -111.86 146.84 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.209 -0.932 . . . . 0.0 110.411 -165.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -107.14 -168.01 1.34 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 112.787 170.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.616 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -68.01 -34.19 76.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.112 -0.993 . . . . 0.0 112.012 177.145 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.83 -83.18 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.123 0 CA-C-O 124.753 2.216 . . . . 0.0 111.69 170.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.834 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.4 mm-40 -24.23 -42.35 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.761 0 CA-C-N 113.84 -1.527 . . . . 0.0 113.615 164.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.73 ' HE2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -62.31 -46.5 88.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.428 -0.795 . . . . 0.0 111.939 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.51 -40.87 96.18 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 125.018 1.327 . . . . 0.0 111.763 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -45.93 32.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.124 -0.985 . . . . 0.0 109.334 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 4.7 ttm -46.37 -58.34 3.81 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.771 ' HE1' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -91.96 -11.61 35.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.122 -0.986 . . . . 0.0 110.485 -163.003 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 154.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 2.0 tt0 . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 121.13 0.49 . . . . 0.0 111.847 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.75 -32.18 65.46 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -30.92 16.17 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.81 HD12 HD23 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -77.17 -19.17 57.16 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.142 0.977 . . . . 0.0 111.736 162.333 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -65.04 -64.07 0.95 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 166.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -47.41 -38.31 13.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.317 -0.864 . . . . 0.0 113.31 166.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.31 -39.81 78.05 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 176.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.778 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 64.3 t80 -74.63 -30.33 61.6 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.957 0.903 . . . . 0.0 112.076 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -46.51 58.69 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.343 1.057 . . . . 0.0 112.907 167.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -75.55 -31.62 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 C-N-CA 124.418 1.087 . . . . 0.0 110.236 -166.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -59.14 -49.56 77.41 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.258 -0.901 . . . . 0.0 110.435 162.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.67 132.64 53.0 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.214 -0.928 . . . . 0.0 112.759 -170.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -100.8 -36.58 9.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.133 -0.98 . . . . 0.0 109.291 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -98.25 -29.6 13.1 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -162.426 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 74.66 63.45 0.07 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 167.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.97 8.71 26.45 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.566 1.146 . . . . 0.0 112.628 155.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.31 25.73 72.5 Favored Glycine 0 CA--C 1.572 3.637 0 O-C-N 121.294 -0.879 . . . . 0.0 115.079 -165.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -118.21 166.3 12.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.332 -1.099 . . . . 0.0 111.68 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -128.45 125.19 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.075 -1.015 . . . . 0.0 110.241 161.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -101.27 171.83 7.36 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.111 -0.993 . . . . 0.0 112.775 -176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -29.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.313 -0.867 . . . . 0.0 110.313 174.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -70.13 -29.91 66.95 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 94.2 mt-10 -76.7 -26.35 54.62 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.799 HD12 HG21 ' B' ' 43' ' ' ILE . 2.0 tm? -69.76 -40.64 75.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.21 -0.931 . . . . 0.0 111.784 -159.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.25 82.99 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.178 -0.951 . . . . 0.0 115.059 167.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.5 mm-40 -78.36 -32.33 48.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.241 -1.152 . . . . 0.0 113.87 163.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.901 HG22 HD23 ' A' ' 31' ' ' LEU . 61.0 mt -58.6 -72.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.233 -0.917 . . . . 0.0 110.25 166.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.901 HD23 HG22 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.51 -36.67 81.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -174.108 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.07 10.29 8.14 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.326 -0.859 . . . . 0.0 110.768 -155.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 161.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.61 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -67.4 -45.68 75.47 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.245 -0.909 . . . . 0.0 112.724 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.799 HG21 HD12 ' A' ' 27' ' ' LEU . 10.0 mt -58.8 -35.06 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 172.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -35.91 68.4 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -72.63 -34.44 67.31 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.001 0.92 . . . . 0.0 112.688 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.36 -44.61 96.88 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 160.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.49 -38.87 88.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.137 -0.977 . . . . 0.0 112.074 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -30.79 62.92 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 124.015 0.926 . . . . 0.0 110.18 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -66.94 -39.68 87.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.42 -0.8 . . . . 0.0 112.441 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.1 m -60.52 -33.13 72.2 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.157 -0.965 . . . . 0.0 112.724 166.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.93 148.19 38.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.16 -0.963 . . . . 0.0 112.628 -174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -53.34 0.76 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.14 -0.975 . . . . 0.0 110.129 157.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -75.02 10.67 1.37 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 59.55 30.92 20.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.912 -1.117 . . . . 0.0 113.266 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.33 74.74 6.95 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.261 -0.899 . . . . 0.0 112.69 155.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.91 -22.22 0.28 Allowed Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.132 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -92.0 138.81 31.23 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.19 -1.182 . . . . 0.0 113.851 168.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.847 HG23 ' HB2' ' B' ' 62' ' ' GLU . 58.4 mt -108.76 141.59 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.073 -1.017 . . . . 0.0 110.195 -159.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -115.81 177.35 4.71 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.238 1.015 . . . . 0.0 112.836 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -41.94 74.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 -168.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.847 ' HB2' HG23 ' B' ' 58' ' ' ILE . 6.0 mm-40 -28.09 -48.08 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 165.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.778 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 5.5 t80 -59.43 -39.1 82.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.431 -0.793 . . . . 0.0 112.223 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.81 HD23 HD12 ' A' ' 7' ' ' LEU . 7.1 mt -70.87 -21.47 62.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.313 -0.867 . . . . 0.0 111.777 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -85.27 -42.32 14.75 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.291 -0.881 . . . . 0.0 109.314 173.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.8 ttp -56.9 -20.37 22.91 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 8.9 mmt -98.18 -65.31 0.97 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.241 -0.912 . . . . 0.0 110.545 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.5 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 121.185 0.517 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -58.48 -32.98 69.28 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -85.63 -57.4 3.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -24.66 7.36 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 111.699 168.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.62 -62.26 1.51 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -47.26 -30.25 2.94 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.263 -0.898 . . . . 0.0 113.206 164.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.83 -31.44 45.8 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.653 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 76.5 t80 -74.21 -30.31 62.13 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 112.086 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -53.0 40.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.233 -0.917 . . . . 0.0 112.933 165.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.36 -31.57 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 C-N-CA 124.205 1.002 . . . . 0.0 110.309 -166.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' A' ' 30' ' ' ILE . 4.2 m-30 -45.37 -72.95 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.254 -0.904 . . . . 0.0 110.397 162.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.71 145.04 55.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.189 -0.945 . . . . 0.0 112.803 -154.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HD3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -62.99 -33.42 75.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.189 -0.944 . . . . 0.0 109.233 -166.074 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -136.55 -39.41 0.65 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -166.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.11 67.07 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 158.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.73 -17.63 64.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.902 . . . . 0.0 112.786 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.488 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 106.37 17.55 12.32 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 120.986 -1.071 . . . . 0.0 115.301 -169.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.488 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.6 m-30 -117.6 166.05 12.85 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.253 -1.145 . . . . 0.0 111.625 168.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.881 HG23 ' CD ' ' A' ' 26' ' ' GLU . 96.1 mt -119.58 127.82 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.022 -1.049 . . . . 0.0 110.198 165.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.36 165.51 11.45 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.054 -1.029 . . . . 0.0 112.66 -172.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -2.43 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.217 -0.927 . . . . 0.0 110.493 172.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.93 -40.81 23.96 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.511 -1.368 . . . . 0.0 113.613 164.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.881 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.91 -46.92 27.5 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -172.022 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.99 HD21 HD12 ' B' ' 43' ' ' ILE . 7.1 tt -40.27 -54.78 2.31 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 125.232 1.413 . . . . 0.0 112.059 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.86 -29.21 72.58 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 121.072 -1.017 . . . . 0.0 115.098 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 2.7 tp10 -59.89 -45.23 93.17 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.198 -1.178 . . . . 0.0 113.907 165.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 14' ' ' PHE . 20.5 mm -58.25 -59.38 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.226 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 1.041 HD12 HD11 ' B' ' 43' ' ' ILE . 0.4 OUTLIER -65.13 -37.37 87.21 Favored 'General case' 0 CA--C 1.575 1.907 0 O-C-N 121.023 -1.048 . . . . 0.0 111.428 -172.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -33.87 20.6 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.335 -0.853 . . . . 0.0 110.806 -171.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 166.255 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.61 -46.08 77.08 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -65.4 -36.41 83.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.227 -0.921 . . . . 0.0 112.702 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 1.041 HD11 HD12 ' A' ' 31' ' ' LEU . 2.4 mm -56.99 -48.68 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.988 . . . . 0.0 110.081 170.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -34.83 77.12 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.14 -45.83 89.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.31 -0.869 . . . . 0.0 112.663 168.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.45 -47.22 50.65 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.92 29.37 1.84 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.984 -1.072 . . . . 0.0 112.108 178.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -126.09 -35.62 2.43 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.166 0.987 . . . . 0.0 109.991 156.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.4 -41.64 84.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.361 -0.837 . . . . 0.0 112.439 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 56.6 m -71.79 -39.51 69.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 112.909 162.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.49 3.29 28.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.188 -0.945 . . . . 0.0 112.717 -168.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -27.43 9.45 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.194 -0.941 . . . . 0.0 110.052 -169.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.04 17.38 0.34 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.193 -0.942 . . . . 0.0 113.229 -165.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.4 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.776 0.83 . . . . 0.0 112.758 171.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 1.11 58.57 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.605 1.162 . . . . 0.0 112.509 -153.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.61 48.79 3.1 Favored Glycine 0 CA--C 1.572 3.641 0 C-N-CA 124.399 1.0 . . . . 0.0 114.885 169.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -9.39 140.78 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 154.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.971 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.3 mt -92.97 134.24 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 C-N-CA 124.65 1.18 . . . . 0.0 110.316 -155.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -110.38 -179.76 3.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.013 -1.054 . . . . 0.0 112.862 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.76 -39.91 59.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.938 -1.101 . . . . 0.0 112.052 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.93 -84.14 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 125.031 2.348 . . . . 0.0 111.531 170.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.971 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.7 mt-10 -25.0 -35.86 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.718 0 C-N-CA 125.674 1.589 . . . . 0.0 113.828 167.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.653 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 3.7 t80 -61.73 -60.05 4.24 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.143 -0.973 . . . . 0.0 111.794 173.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.4 mt -51.75 -27.41 11.98 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.21 1.004 . . . . 0.0 111.803 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.36 -45.03 9.28 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.082 -1.011 . . . . 0.0 109.482 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.07 -24.12 6.32 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -91.33 -57.33 2.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.206 -0.934 . . . . 0.0 110.561 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.796 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 121.287 0.565 . . . . 0.0 111.82 . . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.674 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 47.9 tt0 -61.32 -45.6 93.76 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 164.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -76.7 -49.3 16.4 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -25.1 25.22 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.218 -0.926 . . . . 0.0 111.773 163.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.91 -50.87 53.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -52.77 -48.97 66.44 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.267 -0.895 . . . . 0.0 113.279 166.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.91 69.08 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 171.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.657 ' HE1' HG13 ' A' ' 22' ' ' ILE . 20.8 t80 -75.67 -58.24 3.4 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.323 -0.861 . . . . 0.0 112.165 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -42.72 -46.77 5.23 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.165 0.986 . . . . 0.0 112.977 163.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -69.15 -42.87 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 C-N-CA 124.234 1.014 . . . . 0.0 110.249 -169.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.02 -36.4 74.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.301 -0.874 . . . . 0.0 110.408 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -80.89 109.44 15.46 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.246 -0.909 . . . . 0.0 112.827 -165.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.95 -70.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.077 -1.015 . . . . 0.0 109.232 -178.731 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -97.64 -18.73 18.73 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -161.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 77.52 69.67 0.05 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 159.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.16 -19.3 30.3 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.916 0.887 . . . . 0.0 112.701 160.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.55 1.9 53.23 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.282 -0.886 . . . . 0.0 115.246 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.456 ' HD2' ' NH1' ' B' ' 57' ' ' ARG . 22.9 m-30 -123.63 156.03 36.59 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.131 -1.217 . . . . 0.0 111.653 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.657 HG13 ' HE1' ' A' ' 11' ' ' PHE . 25.9 mt -106.92 146.81 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.032 -1.042 . . . . 0.0 110.275 170.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -122.7 176.18 6.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.217 -0.927 . . . . 0.0 112.747 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 tt -71.81 -27.09 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.129 -0.982 . . . . 0.0 110.269 -175.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.14 -35.43 74.05 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.073 -1.017 . . . . 0.0 113.724 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.57 -24.16 58.88 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.907 ' CD1' HG23 ' B' ' 43' ' ' ILE . 1.9 tm? -61.04 -74.83 0.07 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.156 0.982 . . . . 0.0 111.828 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -49.02 -49.91 28.65 Favored Glycine 0 CA--C 1.572 3.623 0 O-C-N 121.136 -0.978 . . . . 0.0 115.092 -175.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.48 -36.68 68.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.301 -1.117 . . . . 0.0 113.939 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.428 HG22 HD23 ' A' ' 31' ' ' LEU . 59.1 mt -43.61 -65.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.073 -1.017 . . . . 0.0 110.157 159.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.26 -34.18 60.21 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.091 -1.006 . . . . 0.0 111.417 -175.701 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.34 -29.94 19.94 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.353 -0.842 . . . . 0.0 110.811 -170.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -164.341 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.12 -35.76 79.72 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 172.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -59.22 -36.8 76.06 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.215 -0.928 . . . . 0.0 112.664 169.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.907 HG23 ' CD1' ' A' ' 27' ' ' LEU . 1.2 mp -70.08 -46.81 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 172.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -38.69 86.04 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.09 -36.91 66.88 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.998 0.919 . . . . 0.0 112.667 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.63 -45.3 94.66 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 17.0 tpt -78.7 -7.12 57.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.151 -0.968 . . . . 0.0 112.086 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -93.15 -33.8 13.88 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.151 -0.968 . . . . 0.0 109.973 164.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.4 -52.06 44.32 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.501 -0.749 . . . . 0.0 112.446 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.6 m -63.9 -42.73 97.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.201 -0.937 . . . . 0.0 112.854 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.08 179.8 4.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 112.706 -161.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.27 -138.33 0.16 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.143 -0.973 . . . . 0.0 109.589 154.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -69.53 -45.53 68.61 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.616 -1.302 . . . . 0.0 113.029 -155.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m120 53.54 98.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.983 0.913 . . . . 0.0 113.444 154.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -27.02 -37.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.252 1.021 . . . . 0.0 112.739 154.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.26 -25.95 0.1 OUTLIER Glycine 0 CA--C 1.572 3.6 0 O-C-N 121.066 -1.021 . . . . 0.0 115.404 154.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.456 ' NH1' ' HD2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -116.25 173.55 6.53 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.136 -1.214 . . . . 0.0 114.071 -154.388 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.968 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.4 mt -109.54 150.22 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 110.335 -171.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -120.23 174.86 6.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.075 -1.015 . . . . 0.0 112.826 166.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.04 -33.27 51.11 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.955 -1.09 . . . . 0.0 112.025 -171.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.32 -84.73 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.84 2.257 . . . . 0.0 111.271 170.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.968 ' HB2' HG23 ' B' ' 58' ' ' ILE . 8.7 mt-10 -28.58 -33.53 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.913 -1.494 . . . . 0.0 113.982 168.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -62.34 -53.5 54.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.718 -1.239 . . . . 0.0 111.973 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.72 -32.18 59.31 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.414 1.086 . . . . 0.0 111.838 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -85.74 -51.12 6.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.063 -1.023 . . . . 0.0 109.35 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.8 ttp -52.96 -30.21 33.5 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 171.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 36.3 tpp -77.52 -54.73 6.06 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.217 -0.927 . . . . 0.0 110.601 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 170.777 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.5 tt0 . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 121.215 0.531 . . . . 0.0 111.836 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 6.4 tt0 -46.81 -55.7 7.48 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -41.08 96.51 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -173.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.113 HD22 HD23 ' B' ' 64' ' ' LEU . 5.1 mp -69.58 -21.54 63.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 111.711 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.42 -62.22 1.53 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -42.8 -53.06 4.78 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 113.232 162.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.2 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CD1' HD12 ' A' ' 22' ' ' ILE . 79.8 t80 -77.0 -30.05 55.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 0.0 112.13 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -68.73 -30.14 68.71 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.422 1.089 . . . . 0.0 113.027 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -79.72 -37.61 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 C-N-CA 124.359 1.064 . . . . 0.0 110.172 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CD1' HD12 ' A' ' 30' ' ' ILE . 10.8 m-30 -71.25 -28.72 64.36 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.841 0.856 . . . . 0.0 110.435 178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.709 ' OD2' ' HB3' ' A' ' 18' ' ' ALA . 61.6 t0 -40.38 141.23 0.54 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.212 1.005 . . . . 0.0 112.843 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 -38.85 4.39 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.205 -0.934 . . . . 0.0 109.29 165.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -128.19 -81.66 0.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.709 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . . . 72.47 83.32 0.13 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 157.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.03 -21.0 58.38 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.245 -0.909 . . . . 0.0 112.767 161.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -175.5 -31.16 0.04 OUTLIER Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.116 -0.99 . . . . 0.0 115.002 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.444 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.5 m-30 -111.57 161.38 16.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.256 -1.143 . . . . 0.0 111.748 -166.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.552 HD12 ' CD1' ' A' ' 11' ' ' PHE . 84.1 mt -115.24 121.55 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.021 -1.049 . . . . 0.0 110.266 168.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.16 177.23 4.92 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.965 -1.084 . . . . 0.0 112.761 -157.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -27.45 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.203 -0.936 . . . . 0.0 110.22 -178.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -27.42 56.23 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' OE1' HG23 ' A' ' 22' ' ' ILE . 49.9 mt-10 -66.26 -38.53 88.04 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 166.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.733 HD12 HG23 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -64.22 -68.22 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.197 -0.939 . . . . 0.0 111.883 -157.619 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.54 -51.3 1.39 Allowed Glycine 0 CA--C 1.572 3.643 0 O-C-N 121.17 -0.956 . . . . 0.0 115.144 173.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -75.97 -20.87 57.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.266 -1.138 . . . . 0.0 113.89 -171.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' A' ' 14' ' ' PHE . 23.9 mm -58.87 -69.81 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 156.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.52 -36.84 46.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.094 -1.004 . . . . 0.0 111.349 -173.484 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -23.85 11.89 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.327 -0.858 . . . . 0.0 110.823 -164.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.96 -17.15 64.48 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.91 -37.94 19.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.172 -0.955 . . . . 0.0 112.698 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.733 HG23 HD12 ' A' ' 27' ' ' LEU . 1.7 mp -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.152 -0.968 . . . . 0.0 110.266 166.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -39.1 91.88 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.53 -37.33 84.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.367 -0.833 . . . . 0.0 112.645 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.06 -45.01 87.13 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 77.6 mmm -71.03 -48.23 54.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.982 -1.074 . . . . 0.0 112.052 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.85 -25.16 66.44 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.241 -0.912 . . . . 0.0 110.381 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.97 -57.95 5.89 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.878 -1.139 . . . . 0.0 112.399 168.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.4 p -66.09 -30.7 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.083 -1.01 . . . . 0.0 112.876 -168.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -82.78 134.48 35.12 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.222 -0.924 . . . . 0.0 112.682 -157.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -96.8 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 110.078 156.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -67.49 -6.74 21.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.217 -0.927 . . . . 0.0 113.355 -154.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 m120 62.79 38.14 11.91 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.15 -0.969 . . . . 0.0 113.303 170.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -72.7 -39.85 66.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.216 -0.928 . . . . 0.0 112.697 155.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.75 19.26 41.19 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.231 -0.918 . . . . 0.0 115.124 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -133.4 136.4 45.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -1.164 . . . . 0.0 113.859 170.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.547 HG23 ' HG3' ' B' ' 62' ' ' GLU . 70.3 mt -108.04 113.09 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.097 -1.002 . . . . 0.0 110.186 -154.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -94.14 163.45 13.46 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.907 -1.121 . . . . 0.0 113.16 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.467 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 40.9 t80 -51.81 -32.41 31.31 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.003 0.921 . . . . 0.0 112.034 -160.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -49.91 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 124.618 2.151 . . . . 0.0 111.362 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.547 ' HG3' HG23 ' B' ' 58' ' ' ILE . 10.5 pt-20 -38.37 -17.04 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 168.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.498 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 20.6 t80 -66.54 -58.82 4.4 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.747 -1.846 . . . . 0.0 112.059 162.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 1.113 HD23 HD22 ' A' ' 7' ' ' LEU . 19.0 mt -50.86 -28.56 9.77 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.591 1.156 . . . . 0.0 111.923 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -95.08 -21.8 18.31 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.119 -0.988 . . . . 0.0 109.604 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.1 ttp -73.45 -12.27 60.74 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.4 ttp -114.13 -40.45 3.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.212 -0.93 . . . . 0.0 110.546 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 1.1 mp0 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.137 0.494 . . . . 0.0 111.857 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -35.35 -60.34 0.49 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.52 -48.62 71.87 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.591 HD12 HD23 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -62.81 -36.17 82.31 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.219 -0.925 . . . . 0.0 111.704 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -51.07 31.46 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -39.48 -50.1 2.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.275 -0.891 . . . . 0.0 113.271 162.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.73 74.81 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 91.5 t80 -70.29 -31.22 68.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 112.119 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.879 ' HD2' HG12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -80.26 -38.8 30.21 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.24 -0.913 . . . . 0.0 112.944 170.439 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.879 HG12 ' HD2' ' A' ' 12' ' ' ARG . 1.9 mm -67.22 -38.82 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 C-N-CA 124.066 0.946 . . . . 0.0 110.291 -173.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.236 -0.915 . . . . 0.0 110.37 171.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.56 156.22 25.32 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.278 -0.889 . . . . 0.0 112.842 -167.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 15.1 mtmm -129.56 7.35 5.29 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.938 -167.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.498 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 179.93 83.71 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.216 -1.553 . . . . 0.0 114.588 -154.204 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 63.43 75.14 0.4 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -154.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.21 -21.73 0.3 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.376 -0.828 . . . . 0.0 112.714 168.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.74 -50.08 55.46 Favored Glycine 0 CA--C 1.572 3.618 0 O-C-N 121.142 -0.974 . . . . 0.0 115.209 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -116.94 156.06 28.06 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.245 -1.15 . . . . 0.0 111.735 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -115.36 158.34 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.227 -0.921 . . . . 0.0 110.266 166.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -126.85 168.82 13.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.006 -1.059 . . . . 0.0 112.67 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 tt -67.56 -29.63 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.178 -0.951 . . . . 0.0 110.253 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.85 -33.2 75.44 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 172.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -77.83 -25.37 48.78 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -66.96 -71.38 0.2 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.203 -0.936 . . . . 0.0 111.875 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -37.83 -61.39 1.13 Allowed Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.158 -0.964 . . . . 0.0 115.123 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.21 -30.86 71.93 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.307 -1.114 . . . . 0.0 113.931 -171.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.17 -74.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.186 -0.946 . . . . 0.0 110.253 156.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.606 HD23 HD22 ' A' ' 27' ' ' LEU . 4.5 pp -62.43 -4.22 1.78 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.29 -0.881 . . . . 0.0 111.681 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -64.79 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.229 -0.919 . . . . 0.0 110.808 168.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -164.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.63 72.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -61.56 -42.43 98.83 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.251 -0.906 . . . . 0.0 112.709 168.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mt -60.27 -58.56 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.143 -0.973 . . . . 0.0 110.191 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -32.89 74.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.052 -1.03 . . . . 0.0 113.776 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.32 -53.89 44.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.286 -0.884 . . . . 0.0 112.642 165.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.36 -61.39 2.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.113 -0.992 . . . . 0.0 113.671 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 27.5 ttt -89.58 -3.57 58.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.655 -1.278 . . . . 0.0 112.165 -159.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -37.08 11.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.163 -0.96 . . . . 0.0 109.909 163.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.46 -25.71 66.02 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.383 -0.823 . . . . 0.0 112.41 173.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -89.81 -48.99 6.89 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 0.0 112.859 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -72.77 130.3 40.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.702 -157.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -102.43 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.27 -0.894 . . . . 0.0 109.873 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -70.89 -7.27 44.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.848 -1.158 . . . . 0.0 113.301 -164.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.64 49.19 3.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.953 . . . . 0.0 113.266 163.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.02 -51.28 6.78 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.295 -0.878 . . . . 0.0 112.582 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -47.28 0.28 Allowed Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.257 -0.902 . . . . 0.0 115.209 173.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt-85 -112.63 158.72 19.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.305 -1.115 . . . . 0.0 113.866 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' B' ' 62' ' ' GLU . 66.0 mt -109.46 136.6 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.163 -0.961 . . . . 0.0 110.301 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -114.4 -178.27 3.33 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.225 1.01 . . . . 0.0 112.846 162.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -55.06 -34.88 63.96 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.015 -1.053 . . . . 0.0 112.033 -168.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -84.79 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.752 2.215 . . . . 0.0 111.39 172.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.615 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.1 mp0 -27.93 -35.91 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.821 167.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.6 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 56.2 t80 -61.85 -50.22 73.13 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.971 -1.081 . . . . 0.0 111.816 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.591 HD23 HD12 ' A' ' 7' ' ' LEU . 13.2 mt -56.85 -32.57 65.94 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 124.874 1.27 . . . . 0.0 111.882 175.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -85.65 -40.14 16.52 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.6 ttp -50.95 -36.12 37.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 169.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 7' ' ' LEU . 6.4 ptm -114.62 -14.8 12.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.174 -0.954 . . . . 0.0 110.537 -168.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 168.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 21.4 pt-20 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 121.148 0.499 . . . . 0.0 111.887 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -54.61 -47.84 72.93 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -171.002 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.93 -43.38 13.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.557 HD22 HD23 ' B' ' 64' ' ' LEU . 1.4 mp -60.96 -8.59 3.3 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 124.18 0.992 . . . . 0.0 111.806 163.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -89.87 -42.39 11.26 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -59.34 -37.18 77.18 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.169 -0.957 . . . . 0.0 113.226 160.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.67 -38.59 77.13 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 174.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.892 ' HD2' ' CD2' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -74.1 -44.69 53.03 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.206 -0.934 . . . . 0.0 112.316 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.51 -53.67 10.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.064 -1.022 . . . . 0.0 112.979 160.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -68.49 -27.23 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.317 1.047 . . . . 0.0 110.304 -168.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.97 -51.57 63.74 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.052 0.941 . . . . 0.0 110.429 171.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -74.3 127.91 34.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.153 -0.967 . . . . 0.0 112.792 -162.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.28 -21.15 27.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.172 -0.955 . . . . 0.0 109.388 -162.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -122.38 -28.1 4.34 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.528 1.306 . . . . 0.0 114.528 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.88 50.16 0.86 Allowed 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 163.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.22 -12.16 60.77 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.174 -0.954 . . . . 0.0 112.67 154.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.35 -18.09 4.45 Favored Glycine 0 CA--C 1.573 3.66 0 O-C-N 121.17 -0.956 . . . . 0.0 115.073 174.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -112.06 171.33 7.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.344 -1.092 . . . . 0.0 111.706 -155.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' CE1' ' A' ' 11' ' ' PHE . 5.7 mt -107.04 144.53 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 110.291 157.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.65 165.01 12.17 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.125 -0.984 . . . . 0.0 112.648 170.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -39.25 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.324 -0.86 . . . . 0.0 110.182 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.89 -29.92 63.53 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -174.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.766 ' O ' HD13 ' A' ' 30' ' ' ILE . 63.1 mt-10 -79.77 -18.25 51.48 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 HD23 ' A' ' 31' ' ' LEU . 6.1 tt -66.82 -61.12 2.12 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.219 -0.926 . . . . 0.0 111.868 -175.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.33 -54.3 7.42 Favored Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.094 -1.004 . . . . 0.0 115.18 166.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.56 -40.43 78.9 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.268 -1.136 . . . . 0.0 113.867 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.766 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -54.14 -77.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.14 -0.975 . . . . 0.0 110.245 162.494 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 HD23 ' A' ' 27' ' ' LEU . 4.6 pp -54.99 -22.67 16.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.11 -0.994 . . . . 0.0 111.626 -165.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -77.71 -68.64 0.61 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.249 -0.907 . . . . 0.0 110.752 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -157.643 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.87 -28.05 66.35 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -38.26 88.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.235 -0.916 . . . . 0.0 112.668 166.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.72 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.256 -0.902 . . . . 0.0 110.267 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -37.67 80.06 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.88 -42.64 85.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.37 -0.831 . . . . 0.0 112.724 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.7 -41.4 95.12 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 166.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 13.9 tpt -63.98 -8.89 12.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.186 -0.946 . . . . 0.0 112.087 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.41 -31.23 11.02 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.263 -0.898 . . . . 0.0 110.282 170.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.07 -51.08 58.84 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.399 -0.813 . . . . 0.0 112.447 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -77.68 -39.96 43.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.27 -0.894 . . . . 0.0 112.915 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.24 144.12 57.37 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.257 -0.902 . . . . 0.0 112.674 -169.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -144.72 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.149 -0.97 . . . . 0.0 109.96 155.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -69.34 -1.43 8.22 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 m120 58.36 87.23 0.07 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.805 -1.185 . . . . 0.0 113.271 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -74.4 -44.5 51.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.186 -0.946 . . . . 0.0 112.728 158.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.0 -52.86 0.1 Allowed Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.092 -1.005 . . . . 0.0 115.068 167.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 177.52 7.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -1.138 . . . . 0.0 113.846 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.815 HD13 ' HE2' ' B' ' 66' ' ' MET . 51.4 mt -100.7 134.72 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.129 -0.982 . . . . 0.0 110.117 -159.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -111.38 173.03 6.54 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 124.402 1.081 . . . . 0.0 112.807 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.892 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 38.8 t80 -52.65 -31.7 38.28 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.867 -1.146 . . . . 0.0 112.119 -165.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -83.41 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.829 2.252 . . . . 0.0 111.508 168.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.78 ' HB2' HG23 ' B' ' 58' ' ' ILE . 15.4 mt-10 -25.56 -38.54 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.722 0 CA-C-N 113.778 -1.556 . . . . 0.0 113.684 166.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.686 ' HA ' ' HE3' ' B' ' 66' ' ' MET . 64.9 t80 -63.21 -50.66 69.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.039 -1.038 . . . . 0.0 112.121 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.557 HD23 HD22 ' A' ' 7' ' ' LEU . 52.8 mt -62.35 -39.5 93.34 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.524 1.13 . . . . 0.0 111.816 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -72.5 -39.0 67.99 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.051 -1.031 . . . . 0.0 109.381 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.815 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.6 ttm -70.48 -21.64 62.75 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 45.0 tpp -79.84 -61.72 1.9 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.292 -0.88 . . . . 0.0 110.547 166.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.468 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.3 mp0 . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 121.219 0.533 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -40.64 -44.48 2.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.64 -47.37 54.89 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.697 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -71.52 -36.72 71.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.152 -0.968 . . . . 0.0 111.752 175.606 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.449 ' O ' ' HD2' ' A' ' 12' ' ' ARG . . . -56.65 -60.99 2.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 168.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -34.55 -71.39 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.024 0.93 . . . . 0.0 113.244 160.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.09 72.9 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.622 ' HE2' ' HB2' ' B' ' 60' ' ' PHE . 1.8 t80 -68.24 -40.25 82.03 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.183 -0.948 . . . . 0.0 112.17 175.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 8' ' ' ALA . 32.1 mtt180 -59.01 -38.98 80.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 112.949 162.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -71.68 -33.88 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.358 1.063 . . . . 0.0 110.247 -168.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 30' ' ' ILE . 4.8 m-30 -60.53 -41.89 95.35 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.31 -0.869 . . . . 0.0 110.445 166.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.74 141.97 44.39 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.193 -0.942 . . . . 0.0 112.732 -161.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -127.79 30.6 5.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -162.389 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -173.42 -39.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 83.98 44.02 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 154.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -68.99 -21.58 64.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.206 -0.934 . . . . 0.0 112.595 154.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.0 -28.94 3.44 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.263 -0.898 . . . . 0.0 115.332 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.43 167.2 10.2 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.191 -1.182 . . . . 0.0 111.653 -167.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' HE1' ' A' ' 11' ' ' PHE . 2.1 mt -95.79 159.13 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.187 -0.945 . . . . 0.0 110.329 166.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -124.47 -178.25 4.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.241 -0.912 . . . . 0.0 112.753 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.53 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.6 -37.01 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.235 -0.915 . . . . 0.0 110.223 178.342 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.19 -33.8 73.92 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.7 -34.99 60.43 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' B' ' 43' ' ' ILE . 1.0 OUTLIER -43.44 -63.38 0.84 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 111.967 175.002 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.2 -47.03 85.13 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.078 -1.014 . . . . 0.0 115.171 -174.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 48.2 mm-40 -62.76 -35.79 80.95 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.257 -1.143 . . . . 0.0 113.885 173.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.436 HD11 HD13 ' A' ' 22' ' ' ILE . 11.9 mt -48.26 -65.18 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.029 -1.044 . . . . 0.0 110.178 162.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 32' ' ' ARG . 2.3 pp -64.73 -19.9 66.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 111.599 -164.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.664 ' HB2' HD12 ' A' ' 31' ' ' LEU . 14.2 ttm-85 -114.05 -14.2 12.41 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.067 -1.021 . . . . 0.0 111.044 -169.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.931 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.57 -35.39 75.96 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.9 -50.67 72.87 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.185 -0.947 . . . . 0.0 112.652 171.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.53 HG22 HD11 ' A' ' 24' ' ' ILE . 11.4 mt -61.95 -38.0 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.158 -0.964 . . . . 0.0 110.239 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.5 75.82 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.76 -46.02 66.77 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.903 0.881 . . . . 0.0 112.69 170.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 tt -63.78 -46.5 84.93 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.5 ttt -63.97 -32.57 74.15 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.021 -1.049 . . . . 0.0 112.068 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -85.73 -8.69 58.01 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 110.542 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -67.09 -67.2 0.47 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.113 -1.617 . . . . 0.0 112.451 154.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.2 p -64.09 -41.99 97.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.956 -1.09 . . . . 0.0 112.822 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -53.73 133.59 42.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.193 -0.942 . . . . 0.0 112.706 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -95.48 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.979 -1.076 . . . . 0.0 110.154 158.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.75 -23.59 63.35 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.235 -0.916 . . . . 0.0 113.382 -154.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 59.32 80.92 0.18 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.174 -0.954 . . . . 0.0 113.277 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.73 14.8 2.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.942 . . . . 0.0 112.841 166.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.9 -19.91 24.91 Favored Glycine 0 CA--C 1.571 3.555 0 O-C-N 120.758 -1.214 . . . . 0.0 115.663 154.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 mtt85 -118.51 165.16 14.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.048 -1.266 . . . . 0.0 113.992 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.983 HG23 ' HB2' ' B' ' 62' ' ' GLU . 72.9 mt -112.52 135.81 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.173 -0.954 . . . . 0.0 110.496 170.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -122.68 179.17 4.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.015 -1.053 . . . . 0.0 112.837 168.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.622 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -53.87 -32.07 51.91 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.832 -1.168 . . . . 0.0 112.035 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.68 -83.86 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 124.91 2.29 . . . . 0.0 111.615 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.983 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.6 OUTLIER -25.53 -37.0 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.813 165.679 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.02 -52.68 61.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.207 -0.933 . . . . 0.0 111.885 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.697 HD23 HD12 ' A' ' 7' ' ' LEU . 57.2 mt -60.4 -29.03 68.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.338 1.055 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -43.79 20.09 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -16.17 5.27 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 173.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.22 -53.44 4.85 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.142 -0.974 . . . . 0.0 110.529 165.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -167.087 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 3.9 mt-10 . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.259 0.552 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.2 tt0 -80.98 -37.19 29.72 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -159.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -32.8 69.76 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.47 HD11 ' OE2' ' B' ' 68' ' ' GLU . 4.0 mt -68.88 -20.26 64.26 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.039 0.935 . . . . 0.0 111.781 162.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -74.2 -48.51 28.57 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 168.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -56.61 -40.8 75.95 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.299 -0.875 . . . . 0.0 113.231 166.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.28 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 0.8 OUTLIER -69.12 -31.87 70.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.84 . . . . 0.0 112.082 175.641 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -64.73 -46.77 80.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.233 -0.917 . . . . 0.0 112.952 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -76.57 -31.43 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.382 1.073 . . . . 0.0 110.216 -165.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CD1' HD11 ' A' ' 30' ' ' ILE . 22.1 m-30 -61.76 -52.32 64.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.347 -0.845 . . . . 0.0 110.425 166.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -67.69 98.8 0.73 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.15 -0.968 . . . . 0.0 112.805 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -12.71 60.0 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.127 -0.983 . . . . 0.0 109.386 -163.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -101.08 -35.24 9.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 172.564 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 71.34 49.4 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 174.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.6 11.89 20.58 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.195 -0.941 . . . . 0.0 112.655 162.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.99 6.89 84.52 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.214 -0.929 . . . . 0.0 115.113 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -115.8 156.68 25.61 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.359 -1.083 . . . . 0.0 111.653 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.843 HG23 ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.77 150.68 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.119 -0.988 . . . . 0.0 110.273 162.556 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.19 162.15 19.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.258 -0.901 . . . . 0.0 112.69 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.98 -23.06 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.288 -0.882 . . . . 0.0 110.329 178.739 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -75.74 -35.5 60.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.904 -1.123 . . . . 0.0 113.722 173.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.843 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.05 -52.95 29.46 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.707 ' HG ' HD23 ' A' ' 31' ' ' LEU . 6.2 tp -39.65 -77.83 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 124.248 1.019 . . . . 0.0 111.834 174.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.502 ' HA2' HD21 ' A' ' 31' ' ' LEU . . . -51.45 -37.73 40.95 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.158 -0.964 . . . . 0.0 115.105 -170.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -56.97 -58.41 8.28 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.234 -1.156 . . . . 0.0 113.865 170.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.2 mt -51.6 -58.39 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.162 -0.961 . . . . 0.0 110.205 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.707 HD23 ' HG ' ' A' ' 27' ' ' LEU . 4.4 pp -63.35 -32.06 73.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.002 -1.061 . . . . 0.0 111.618 -170.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.57 ' CG ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.77 35.14 4.53 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.224 -0.923 . . . . 0.0 110.784 -169.186 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 167.673 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.33 -39.61 89.36 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -65.65 0.53 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.194 -0.941 . . . . 0.0 112.648 165.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.562 HG23 HD23 ' A' ' 27' ' ' LEU . 1.6 mp -66.35 -38.02 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.046 -1.034 . . . . 0.0 110.28 -168.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.13 -34.11 65.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -65.79 -47.04 76.47 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.323 -0.861 . . . . 0.0 112.702 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.41 -43.86 97.81 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 169.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.39 13.17 2.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.071 -1.018 . . . . 0.0 112.074 169.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -102.0 -40.02 7.06 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.058 0.943 . . . . 0.0 109.925 157.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -67.59 -40.11 84.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.446 -0.784 . . . . 0.0 112.505 -171.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.7 m -104.35 -7.94 19.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.237 -0.914 . . . . 0.0 113.099 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.64 26.57 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.036 -1.04 . . . . 0.0 112.673 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -41.4 93.99 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.172 -0.955 . . . . 0.0 109.95 -164.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -73.54 5.04 4.14 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 m120 63.42 41.2 7.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.788 -1.195 . . . . 0.0 113.259 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -94.39 66.69 3.39 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.086 0.955 . . . . 0.0 112.684 156.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.49 -19.95 0.17 Allowed Glycine 0 CA--C 1.572 3.635 0 O-C-N 121.161 -0.962 . . . . 0.0 115.115 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 151.47 41.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.306 -1.114 . . . . 0.0 113.811 159.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.846 HG23 ' HB2' ' B' ' 62' ' ' GLU . 71.8 mt -108.37 148.42 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.097 -1.002 . . . . 0.0 110.187 -154.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.48 179.54 3.97 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.967 -1.083 . . . . 0.0 112.855 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.454 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 1.4 t80 -66.16 -32.24 73.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.905 -1.122 . . . . 0.0 112.044 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -83.87 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 124.947 2.308 . . . . 0.0 111.248 165.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.846 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.5 mm-40 -25.78 -37.87 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.712 0 CA-C-N 113.788 -1.551 . . . . 0.0 113.847 166.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 48.9 t80 -60.94 -50.77 72.06 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.211 -0.931 . . . . 0.0 111.884 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.34 -35.21 69.63 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 124.232 1.013 . . . . 0.0 111.897 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -42.25 70.57 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.095 -1.003 . . . . 0.0 109.383 172.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -75.6 -35.59 60.51 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -164.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.6 mtt -78.68 -70.3 0.51 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.217 -0.927 . . . . 0.0 110.564 157.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.47 ' OE2' HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -159.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.936 ' HG2' HD21 ' B' ' 64' ' ' LEU 0.258 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 121.278 0.561 . . . . 0.0 111.844 . . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.1 tt0 -89.96 -68.26 0.79 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -168.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -26.78 59.09 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 168.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.9 66.14 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.051 0.94 . . . . 0.0 111.737 165.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -74.01 -57.17 4.15 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 173.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -31.71 -53.54 0.26 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.231 -0.918 . . . . 0.0 113.253 158.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.91 58.24 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.605 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 14.9 t80 -70.77 -34.59 71.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.222 -0.923 . . . . 0.0 112.092 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -32.09 35.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.189 -0.944 . . . . 0.0 112.92 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.65 -30.83 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.996 0.918 . . . . 0.0 110.333 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -71.66 -56.17 6.33 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.883 0.873 . . . . 0.0 110.341 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.39 130.25 42.32 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.24 -0.913 . . . . 0.0 112.804 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 26.68 6.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.967 . . . . 0.0 109.376 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 3.1 p30 -124.59 -32.53 3.11 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.52 43.73 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 156.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -71.92 -19.52 61.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 124.014 0.926 . . . . 0.0 112.698 160.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.23 -0.04 40.86 Favored Glycine 0 CA--C 1.571 3.562 0 N-CA-C 115.443 0.937 . . . . 0.0 115.443 -167.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.08 161.41 18.94 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.978 -1.307 . . . . 0.0 111.741 -171.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.41 137.04 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 124.059 0.944 . . . . 0.0 110.293 164.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -118.55 162.12 18.9 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.154 -0.966 . . . . 0.0 112.727 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' B' ' 47' ' ' MET . 1.2 tp -64.42 -36.03 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.147 -0.971 . . . . 0.0 110.19 -174.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.93 -30.24 63.73 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -78.45 -17.62 56.06 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 HD11 ' A' ' 31' ' ' LEU . 2.0 tm? -68.8 -69.19 0.34 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.27 -0.894 . . . . 0.0 111.939 -171.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.493 ' CA ' HD12 ' A' ' 31' ' ' LEU . . . -25.17 -68.51 0.04 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.218 -0.926 . . . . 0.0 115.186 161.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.8 -28.52 69.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.255 -1.144 . . . . 0.0 113.872 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -61.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.145 -0.972 . . . . 0.0 110.211 164.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.38 -20.69 20.57 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.169 -0.957 . . . . 0.0 111.332 174.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 43.3 3.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.359 -0.838 . . . . 0.0 110.814 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 164.605 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.78 -43.11 97.33 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.74 -43.44 62.92 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.221 -0.924 . . . . 0.0 112.67 167.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.42 -36.13 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 110.251 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -40.16 91.59 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.05 -25.62 67.9 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.389 -0.819 . . . . 0.0 112.65 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.473 HD13 ' C ' ' B' ' 46' ' ' LEU . 3.3 tm? -73.53 -50.26 22.33 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.444 ' HG3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -92.06 13.17 19.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.873 -1.142 . . . . 0.0 112.072 -176.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -99.08 -45.13 6.04 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.014 0.925 . . . . 0.0 109.937 155.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.57 -47.31 70.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.699 . . . . 0.0 112.438 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -88.58 -20.48 24.95 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.257 -0.902 . . . . 0.0 112.865 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.89 -136.02 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.126 -0.984 . . . . 0.0 112.576 171.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 -118.14 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.619 -1.301 . . . . 0.0 109.94 156.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -73.92 12.18 0.74 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.275 . . . . 0.0 113.435 -170.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 m120 76.61 32.71 0.53 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.983 -1.073 . . . . 0.0 113.161 158.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -122.99 53.26 1.3 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.054 1.342 . . . . 0.0 112.579 154.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.9 49.16 0.86 Allowed Glycine 0 CA--C 1.571 3.538 0 N-CA-C 115.58 0.992 . . . . 0.0 115.58 -161.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 134.73 0.91 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.252 -1.146 . . . . 0.0 113.737 154.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.734 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.8 mt -90.96 144.42 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 C-N-CA 124.533 1.133 . . . . 0.0 110.265 -154.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -122.19 172.96 7.89 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.253 1.021 . . . . 0.0 112.697 165.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.585 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -58.24 -32.53 68.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.038 -1.039 . . . . 0.0 112.279 -160.699 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -78.94 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.702 0 O-C-N 120.747 -1.221 . . . . 0.0 113.525 162.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.734 ' HB2' HG23 ' B' ' 58' ' ' ILE . 32.8 mt-10 -36.71 -32.86 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 172.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.605 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 54.3 t80 -58.5 -49.75 76.22 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.394 -1.441 . . . . 0.0 111.836 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.936 HD21 ' HG2' ' A' ' 4' ' ' GLU . 25.8 mt -61.3 -28.33 69.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.749 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -80.21 -37.98 32.09 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.131 -0.98 . . . . 0.0 109.253 175.047 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 19.2 ttm -62.39 -53.18 58.7 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 31.7 tpp -62.93 -71.96 0.15 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.239 -0.913 . . . . 0.0 110.543 167.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -158.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 8.4 pt-20 . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 120.998 0.428 . . . . 0.0 112.143 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.66 -66.68 0.4 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.958 -1.089 . . . . 0.0 113.897 -164.637 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -26.9 68.68 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -172.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -22.28 50.51 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.047 0.939 . . . . 0.0 111.7 170.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.588 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -71.84 -58.52 3.39 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -38.28 -50.28 1.44 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.312 -0.868 . . . . 0.0 113.288 160.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.89 66.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -174.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' HE2' ' CA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -68.95 -37.71 79.0 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.052 0.941 . . . . 0.0 112.104 176.497 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -83.36 -4.27 58.31 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.146 -0.971 . . . . 0.0 112.957 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mm -82.3 -44.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.4 1.08 . . . . 0.0 110.14 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.606 ' HB3' HD11 ' A' ' 30' ' ' ILE . 6.4 m-30 -67.2 -30.92 70.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.357 -0.84 . . . . 0.0 110.353 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -82.06 129.8 34.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.267 -0.896 . . . . 0.0 112.876 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -87.33 -49.89 6.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.086 -1.009 . . . . 0.0 109.382 -169.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.496 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 31.5 t30 -99.07 -27.19 13.95 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.1 46.67 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 159.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -88.71 -3.34 58.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.993 0.917 . . . . 0.0 112.95 157.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.1 8.67 35.78 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 120.69 -1.256 . . . . 0.0 115.339 170.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.23 158.73 23.81 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.108 -1.231 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.56 HG23 ' OE2' ' A' ' 26' ' ' GLU . 7.7 mt -101.28 131.35 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.045 -1.034 . . . . 0.0 110.28 162.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.73 173.5 6.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.196 -0.94 . . . . 0.0 112.657 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -26.76 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.228 -0.92 . . . . 0.0 110.304 173.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -33.92 64.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.978 -1.076 . . . . 0.0 113.772 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' OE2' HG23 ' A' ' 22' ' ' ILE . 1.2 pp20? -71.42 -49.59 40.25 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.746 HD11 HD12 ' B' ' 46' ' ' LEU . 7.6 tt -39.38 -58.13 1.28 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.085 1.354 . . . . 0.0 112.022 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.96 58.92 Favored Glycine 0 CA--C 1.572 3.608 0 O-C-N 121.181 -0.949 . . . . 0.0 115.094 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -30.2 46.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.274 -1.133 . . . . 0.0 113.91 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.606 HD11 ' HB3' ' A' ' 14' ' ' PHE . 8.6 mt -59.18 -70.33 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.198 -0.939 . . . . 0.0 110.277 163.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.41 2.99 0.22 Allowed 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.104 -0.997 . . . . 0.0 111.483 -175.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -97.2 -50.32 4.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.242 -0.911 . . . . 0.0 110.89 163.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -160.695 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.06 -18.89 64.06 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -176.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.905 . . . . 0.0 112.638 162.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 27' ' ' LEU . 1.6 mp -65.73 -33.63 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.31 -0.868 . . . . 0.0 110.271 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.48 75.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 176.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -61.22 -32.82 72.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.259 -0.901 . . . . 0.0 112.622 165.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.746 HD12 HD11 ' A' ' 27' ' ' LEU . 2.8 tm? -79.27 -44.08 22.43 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 2.9 tpt -88.11 0.07 56.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.103 -0.998 . . . . 0.0 112.18 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -45.67 14.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.184 -0.948 . . . . 0.0 109.751 157.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.5 -28.77 68.12 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.579 -0.701 . . . . 0.0 112.469 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -93.31 -5.42 49.72 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.251 -0.906 . . . . 0.0 113.14 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.39 109.29 3.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.841 -1.162 . . . . 0.0 112.741 -174.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -68.81 -122.9 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.075 -1.016 . . . . 0.0 109.833 154.721 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -71.56 -58.92 3.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.939 -1.101 . . . . 0.0 113.212 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 59.24 97.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.227 -0.921 . . . . 0.0 113.22 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.12 -34.48 78.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.184 -0.948 . . . . 0.0 112.658 156.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.34 -30.48 0.09 OUTLIER Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.232 -0.917 . . . . 0.0 114.971 -171.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 173.99 14.47 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -1.108 . . . . 0.0 113.851 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.795 HG23 ' CB ' ' B' ' 62' ' ' GLU . 78.3 mt -109.41 154.43 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.138 -0.976 . . . . 0.0 110.183 -170.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -121.7 -160.88 0.88 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.687 158.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.703 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 2.3 t80 -72.32 -33.76 67.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.093 -1.004 . . . . 0.0 112.095 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -47.82 -82.8 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.22 0 CA-C-O 124.689 2.185 . . . . 0.0 111.305 167.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.795 ' CB ' HG23 ' B' ' 58' ' ' ILE . 1.5 mp0 -22.92 -47.5 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.536 163.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.03 -51.16 71.24 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 121.74 0.781 . . . . 0.0 112.158 -176.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -54.88 -34.69 63.28 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.732 1.613 . . . . 0.0 112.084 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -85.36 -34.32 21.83 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.978 -1.077 . . . . 0.0 109.338 -173.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.4 ttp -72.06 -29.46 64.17 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -97.22 -30.44 12.99 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.25 -0.906 . . . . 0.0 110.551 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 170.896 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 4.6 mt-10 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.44 -34.79 72.88 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.741 -1.224 . . . . 0.0 113.837 -154.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HG2' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.88 -48.14 82.47 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 166.338 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.531 HD23 ' HG2' ' A' ' 6' ' ' GLU . 2.4 mt -78.07 -17.53 56.89 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.277 1.031 . . . . 0.0 111.736 -174.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -53.04 10.82 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 164.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -44.23 -49.39 9.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 113.307 164.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' O ' ' HD2' ' A' ' 14' ' ' PHE . . . -72.1 -36.89 69.59 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 89.8 t80 -69.77 -33.01 71.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.273 -0.892 . . . . 0.0 112.251 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.55 -39.85 30.9 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.084 -1.01 . . . . 0.0 112.888 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -59.96 -35.21 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.288 -0.883 . . . . 0.0 110.268 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.548 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 19.6 m-85 -66.38 -46.43 76.69 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.263 -0.898 . . . . 0.0 110.471 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -65.83 116.94 7.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.172 -0.955 . . . . 0.0 112.761 -157.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -57.33 -39.18 75.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.014 -1.054 . . . . 0.0 109.209 -168.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -129.44 -15.35 4.07 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -157.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.26 46.45 0.43 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -13.51 62.24 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.283 -0.886 . . . . 0.0 112.643 160.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.46 5.3 82.13 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.292 -0.88 . . . . 0.0 115.043 -160.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.6 169.25 9.2 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.326 -1.103 . . . . 0.0 111.624 173.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.761 HG23 ' CD ' ' A' ' 26' ' ' GLU . 5.8 mt -114.8 132.59 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.07 -1.019 . . . . 0.0 110.245 165.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.16 176.91 5.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.114 -0.991 . . . . 0.0 112.717 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.517 HD13 ' HG2' ' B' ' 47' ' ' MET . 3.4 tp -66.78 -32.61 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.17 -0.956 . . . . 0.0 110.238 169.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.61 -18.58 51.26 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -172.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.761 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.45 -46.3 70.17 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 160.575 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.74 -50.86 61.4 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.286 -0.884 . . . . 0.0 111.875 -159.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.19 -56.73 1.14 Allowed Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.113 -0.992 . . . . 0.0 115.151 166.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' A' ' 33' ' ' ALA . 2.1 tp10 -58.74 -41.94 87.63 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.35 -1.088 . . . . 0.0 113.883 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.1 -55.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.229 -0.92 . . . . 0.0 110.26 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mt -54.83 -44.14 73.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.92 -1.112 . . . . 0.0 111.329 168.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -82.52 -77.45 0.23 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.331 -0.856 . . . . 0.0 110.778 -170.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.896 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -170.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.903 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -16.72 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.34 -38.55 55.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.19 -0.944 . . . . 0.0 112.674 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.78 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.202 -0.936 . . . . 0.0 110.229 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -32.63 74.25 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -81.26 -38.07 27.49 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.192 0.997 . . . . 0.0 112.629 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.52 -47.43 73.12 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 166.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.517 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -73.96 -27.62 61.09 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.014 -1.054 . . . . 0.0 111.983 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -74.88 -26.21 59.5 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.284 -0.885 . . . . 0.0 109.97 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -52.11 44.98 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.936 -1.102 . . . . 0.0 112.473 160.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -69.98 -26.96 64.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.284 -0.885 . . . . 0.0 112.892 -163.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -79.95 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.222 -0.924 . . . . 0.0 112.665 -162.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.08 -149.93 0.32 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.67 -168.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -56.43 -9.46 0.71 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.978 -1.076 . . . . 0.0 113.28 168.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 m120 78.16 108.49 0.07 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.201 -0.937 . . . . 0.0 113.204 154.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.23 -43.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.218 -0.926 . . . . 0.0 112.647 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.56 -53.86 0.07 OUTLIER Glycine 0 CA--C 1.571 3.562 0 O-C-N 121.178 -0.951 . . . . 0.0 115.234 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -113.39 162.41 16.13 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.263 -1.14 . . . . 0.0 113.915 -154.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.938 HG23 ' HB2' ' B' ' 62' ' ' GLU . 55.5 mt -108.21 149.33 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -115.33 -178.83 3.47 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 124.179 0.991 . . . . 0.0 112.81 166.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.484 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -63.98 -37.2 86.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.752 -1.218 . . . . 0.0 112.092 -168.109 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -77.69 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.68 0 O-C-N 120.6 -1.312 . . . . 0.0 113.53 163.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.938 ' HB2' HG23 ' B' ' 58' ' ' ILE . 49.7 mm-40 -34.07 -42.59 0.13 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -54.73 -45.96 74.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.723 -1.235 . . . . 0.0 111.974 177.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.515 ' CD2' HD12 ' A' ' 7' ' ' LEU . 51.8 mt -64.09 -43.44 95.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.268 -0.895 . . . . 0.0 111.8 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -20.13 25.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 -171.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttm -68.98 -47.39 65.7 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 163.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 24.1 ttm -59.82 -47.01 87.45 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.219 -0.925 . . . . 0.0 110.541 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 174.917 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.2 pt-20 . . . . . 0 N--CA 1.498 1.942 0 CA-C-O 121.156 0.503 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.05 -57.69 11.08 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -163.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.6 -22.45 62.54 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.728 HD12 ' CD2' ' B' ' 64' ' ' LEU . 4.4 mt -87.85 -21.42 25.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 111.766 174.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.7 -51.58 18.75 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 165.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -51.03 -42.82 60.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.236 -0.915 . . . . 0.0 113.212 163.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -68.96 -38.65 79.55 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 177.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.855 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 45.3 t80 -75.38 -33.4 61.01 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.247 -0.908 . . . . 0.0 112.196 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.33 -62.5 1.68 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.149 -0.97 . . . . 0.0 112.925 158.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -59.49 -30.35 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 -165.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.816 ' CE2' HG21 ' A' ' 30' ' ' ILE . 5.7 m-30 -57.16 -58.17 9.37 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 124.022 0.929 . . . . 0.0 110.465 170.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.53 134.89 46.79 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 112.812 -168.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' OE1' ' A' ' 26' ' ' GLU . 3.0 mmmm -82.12 -38.1 25.29 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.124 -0.985 . . . . 0.0 109.391 -168.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.7 m120 -108.83 -21.15 12.8 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 77.51 43.22 0.11 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 161.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.88 -15.62 61.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.199 -0.938 . . . . 0.0 112.804 157.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.96 20.54 46.14 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.073 -1.017 . . . . 0.0 115.111 -175.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.3 161.26 20.73 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.288 -1.125 . . . . 0.0 111.713 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.46 161.11 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.236 -0.915 . . . . 0.0 110.282 165.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -120.53 163.87 17.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.093 -1.004 . . . . 0.0 112.644 169.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.697 HD13 ' HG3' ' B' ' 47' ' ' MET . 0.2 OUTLIER -57.51 -36.3 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.308 -0.87 . . . . 0.0 110.154 175.025 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.29 -33.34 69.63 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.661 ' O ' HD12 ' A' ' 30' ' ' ILE . 18.6 mt-10 -77.84 -37.53 48.24 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 173.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.686 HD23 HG23 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -43.92 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.224 -0.922 . . . . 0.0 111.903 -179.021 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.74 -40.72 6.78 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.114 -0.991 . . . . 0.0 115.153 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.53 -29.92 56.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.273 -1.133 . . . . 0.0 113.884 -177.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.816 HG21 ' CE2' ' A' ' 14' ' ' PHE . 6.0 mt -52.94 -64.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.25 -0.906 . . . . 0.0 110.199 161.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.54 -47.54 63.37 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 121.089 -1.007 . . . . 0.0 111.403 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -31.96 14.93 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -164.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -33.36 71.62 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.17 -41.11 50.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.185 -0.947 . . . . 0.0 112.647 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.686 HG23 HD23 ' A' ' 27' ' ' LEU . 6.0 mt -52.31 -51.61 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.11 -0.994 . . . . 0.0 110.134 170.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -36.13 79.37 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.52 -32.56 72.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.31 -0.869 . . . . 0.0 112.683 173.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.59 -45.98 91.82 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 164.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.697 ' HG3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -82.88 -3.69 57.2 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.128 -0.982 . . . . 0.0 112.181 -176.238 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 -45.16 7.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.211 -0.931 . . . . 0.0 109.854 162.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.44 -40.57 85.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.599 -0.688 . . . . 0.0 112.449 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -79.63 -15.9 56.78 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.323 -0.861 . . . . 0.0 112.959 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.65 -176.34 1.93 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.147 -0.971 . . . . 0.0 112.701 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 -124.17 0.09 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.161 -0.962 . . . . 0.0 109.892 -162.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -77.73 19.41 0.39 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 m120 79.54 36.74 0.14 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.277 1.031 . . . . 0.0 113.149 156.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 64.21 8.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.25 -0.906 . . . . 0.0 112.481 154.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -40.91 -37.72 1.46 Allowed Glycine 0 CA--C 1.572 3.604 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 -160.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.47 136.21 55.36 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.177 -1.19 . . . . 0.0 113.783 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.751 HG23 ' CB ' ' B' ' 62' ' ' GLU . 63.0 mt -103.19 152.39 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.156 -0.965 . . . . 0.0 110.156 -155.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.73 -174.75 2.75 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.126 -0.984 . . . . 0.0 112.745 169.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -47.79 82.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.95 -1.094 . . . . 0.0 112.183 -164.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -77.72 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.779 0 O-C-N 120.953 -1.092 . . . . 0.0 113.843 166.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.751 ' CB ' HG23 ' B' ' 58' ' ' ILE . 0.8 OUTLIER -26.82 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.68 1.192 . . . . 0.0 113.778 172.098 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.855 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 1.8 t80 -55.68 -55.13 35.84 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.408 -0.807 . . . . 0.0 112.309 176.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.728 ' CD2' HD12 ' A' ' 7' ' ' LEU . 30.6 mt -57.37 -33.36 67.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.206 -0.934 . . . . 0.0 111.771 -173.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -40.27 15.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 176.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -57.44 -20.44 30.36 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 172.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.518 ' CE ' HD13 ' A' ' 7' ' ' LEU . 7.7 ttp -97.0 -45.52 6.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.234 -0.916 . . . . 0.0 110.545 174.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -175.309 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.6 mt-10 . . . . . 0 CA--C 1.576 1.944 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 6' ' ' GLU . 18.3 tt0 -22.15 -61.84 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 125.953 1.701 . . . . 0.0 115.192 -163.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -91.64 -12.59 33.76 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.929 -1.107 . . . . 0.0 113.941 -164.741 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 1.7 mt -86.52 -24.47 25.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.072 -1.017 . . . . 0.0 111.707 164.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.33 70.84 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 163.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.79 -39.38 91.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.201 -0.937 . . . . 0.0 113.313 166.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -61.21 -41.89 97.64 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 87.7 t80 -73.94 -37.19 64.64 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 112.05 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.792 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -71.51 -40.16 70.31 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.286 -0.884 . . . . 0.0 112.959 170.173 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.4 -29.95 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.148 -0.97 . . . . 0.0 110.304 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' A' ' 30' ' ' ILE . 2.4 m-30 -68.39 -43.55 77.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.259 -0.9 . . . . 0.0 110.347 174.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -70.7 107.09 3.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.162 -0.961 . . . . 0.0 112.84 -166.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.12 20.08 6.25 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.181 -0.949 . . . . 0.0 110.192 -172.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.48 -19.08 0.48 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.28 45.09 3.02 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 159.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.07 -22.64 42.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.2 -0.937 . . . . 0.0 112.612 154.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.74 -19.56 4.71 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.23 -0.919 . . . . 0.0 115.342 -171.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -105.85 167.75 9.57 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.272 -1.134 . . . . 0.0 111.749 -157.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.505 HG23 ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -101.22 128.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -0.916 . . . . 0.0 110.262 158.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -110.82 177.58 4.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.153 -0.967 . . . . 0.0 112.758 -168.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.11 -31.39 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.18 -0.95 . . . . 0.0 110.293 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -29.41 54.43 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.34 -50.78 43.18 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.178 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD22 HD23 ' A' ' 31' ' ' LEU . 1.8 tm? -38.68 -55.49 1.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.409 1.484 . . . . 0.0 112.102 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.87 -36.99 12.16 Favored Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.094 -1.004 . . . . 0.0 115.095 -167.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.64 -45.6 89.47 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.191 -1.182 . . . . 0.0 113.881 169.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' A' ' 14' ' ' PHE . 1.4 mm -62.33 -65.43 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.153 -0.967 . . . . 0.0 110.274 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.552 HD23 HD22 ' A' ' 27' ' ' LEU . 3.3 pp -49.48 -22.86 1.32 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.217 -0.927 . . . . 0.0 111.539 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -84.18 -81.45 0.18 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.249 -0.907 . . . . 0.0 110.796 166.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.909 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -160.211 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.3 -25.7 64.36 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -50.6 -60.95 2.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.188 -0.945 . . . . 0.0 112.615 162.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.37 -41.19 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.017 -1.052 . . . . 0.0 110.283 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -36.03 60.3 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -171.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.04 -26.58 65.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.314 -0.866 . . . . 0.0 112.66 166.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 tp -74.73 -46.35 37.97 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 172.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.02 50.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.053 -1.029 . . . . 0.0 112.051 169.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -91.51 -27.89 17.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.296 -0.878 . . . . 0.0 110.26 168.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -67.03 -57.74 6.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.114 -0.991 . . . . 0.0 112.388 171.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.6 m -67.79 -38.42 83.33 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.157 -0.965 . . . . 0.0 112.905 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.02 149.45 46.59 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.193 -0.942 . . . . 0.0 112.678 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -109.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.116 -0.99 . . . . 0.0 110.036 159.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -71.9 -20.33 61.8 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.881 -1.137 . . . . 0.0 113.426 -154.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 m120 63.95 72.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.214 -0.929 . . . . 0.0 113.274 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 8.18 37.88 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.235 -0.916 . . . . 0.0 112.899 157.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.35 -6.54 55.85 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 120.532 -1.355 . . . . 0.0 115.383 162.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -157.29 141.65 16.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.05 -1.265 . . . . 0.0 113.851 -164.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.88 HG23 ' HB2' ' B' ' 62' ' ' GLU . 73.9 mt -108.53 126.41 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.141 -0.974 . . . . 0.0 110.191 -163.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -98.65 176.86 5.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.082 -1.011 . . . . 0.0 112.759 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.566 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 67.1 t80 -65.17 -33.76 76.77 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.993 -1.067 . . . . 0.0 112.029 -161.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.677 0 O-C-N 120.66 -1.275 . . . . 0.0 113.541 159.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.88 ' HB2' HG23 ' B' ' 58' ' ' ILE . 24.9 mt-10 -44.41 -20.46 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 6.2 t80 -63.4 -58.03 8.38 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.728 -1.858 . . . . 0.0 112.023 163.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.95 -23.05 51.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.23 -0.919 . . . . 0.0 111.705 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -92.17 -35.14 14.01 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.182 -0.949 . . . . 0.0 109.475 172.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.9 ttt -59.86 -12.71 8.13 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.409 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 3.8 mtt -87.6 -54.75 4.11 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.998 0.919 . . . . 0.0 110.562 154.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -156.336 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.255 3.0 mp0 . . . . . 0 N--CA 1.498 1.95 0 CA-C-O 121.218 0.532 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.24 -62.19 1.79 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -160.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.52 -21.43 18.88 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.41 -25.45 62.34 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.241 1.017 . . . . 0.0 111.823 163.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -50.7 17.9 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -46.1 -46.65 17.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.216 -0.928 . . . . 0.0 113.309 161.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.13 61.45 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.815 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 67.7 t80 -70.01 -32.19 70.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.344 -0.848 . . . . 0.0 112.023 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -39.31 61.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.021 0.928 . . . . 0.0 112.99 168.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -56.65 -37.54 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.102 -0.999 . . . . 0.0 110.269 174.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 2.6 m-30 -62.78 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.259 -0.901 . . . . 0.0 110.385 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -48.86 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.207 -0.933 . . . . 0.0 112.85 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 22.32 0.81 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.147 -0.97 . . . . 0.0 109.755 -163.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -147.04 -33.4 0.29 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.314 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.03 55.51 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 154.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -72.81 -6.18 43.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.214 -0.929 . . . . 0.0 112.944 154.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.36 10.6 44.29 Favored Glycine 0 CA--C 1.572 3.62 0 O-C-N 120.682 -1.261 . . . . 0.0 115.356 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -113.98 165.62 12.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.093 -1.239 . . . . 0.0 111.614 175.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.62 161.23 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 C-N-CA 124.269 1.027 . . . . 0.0 110.222 161.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -135.37 166.64 22.69 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 112.723 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' B' ' 44' ' ' GLU . 0.8 OUTLIER -78.18 -27.12 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.288 -0.883 . . . . 0.0 110.278 -173.135 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.52 -36.19 78.53 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.087 -1.008 . . . . 0.0 113.695 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 30' ' ' ILE . 76.1 mt-10 -71.42 -23.86 61.93 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 175.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.934 HD23 HG23 ' B' ' 43' ' ' ILE . 8.2 tp -59.9 -34.35 73.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.165 -0.96 . . . . 0.0 111.923 -170.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.25 -27.59 36.2 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.095 -1.003 . . . . 0.0 115.074 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -79.78 -40.36 28.85 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.271 -1.134 . . . . 0.0 113.862 171.017 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.435 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -41.36 -63.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.01 -1.057 . . . . 0.0 110.11 159.261 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.5 pp -80.96 -12.92 59.3 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.724 -165.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.57 32.82 5.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.211 -0.931 . . . . 0.0 110.831 172.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 165.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.89 -34.48 78.05 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.18 -37.67 32.81 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.258 -0.901 . . . . 0.0 112.668 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.934 HG23 HD23 ' A' ' 27' ' ' LEU . 3.6 mm -58.84 -45.99 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.166 -0.959 . . . . 0.0 110.189 168.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.18 -37.8 86.5 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -175.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' B' ' 48' ' ' LYS . 1.2 m-20 -70.73 -34.86 72.34 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.872 0.869 . . . . 0.0 112.664 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.816 HD22 HD21 ' A' ' 27' ' ' LEU . 8.1 tt -56.67 -48.24 78.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.416 ' CE ' HG13 ' B' ' 58' ' ' ILE . 5.8 ttt -99.09 15.26 26.46 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.874 -1.142 . . . . 0.0 112.116 -171.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' B' ' 45' ' ' ASP . 0.0 OUTLIER -102.13 -34.43 9.29 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.982 0.913 . . . . 0.0 109.97 156.106 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.21 -40.58 86.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.639 -0.663 . . . . 0.0 112.489 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.71 -33.01 20.15 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 112.887 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -82.56 106.59 14.54 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.189 -0.945 . . . . 0.0 112.687 -157.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.64 26.6 8.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 155.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -81.22 18.75 1.03 Allowed 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 162.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m120 62.51 105.9 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 124.25 1.02 . . . . 0.0 113.022 -167.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -18.21 33.98 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.284 1.034 . . . . 0.0 112.767 -154.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -41.2 -57.53 3.05 Favored Glycine 0 CA--C 1.571 3.578 0 O-C-N 121.189 -0.944 . . . . 0.0 115.11 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -162.57 154.13 18.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.226 -1.161 . . . . 0.0 114.122 -167.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.867 HG23 ' HB2' ' B' ' 62' ' ' GLU . 14.7 mt -106.48 161.74 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 124.199 1.0 . . . . 0.0 110.249 -178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -137.8 -175.22 4.01 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.014 -1.054 . . . . 0.0 112.837 172.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.473 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -64.46 -30.68 71.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.774 -1.204 . . . . 0.0 112.066 -162.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -48.05 -84.09 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 125.016 2.341 . . . . 0.0 111.245 167.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.868 ' HA ' ' HG2' ' B' ' 65' ' ' LYS . 17.5 mm-40 -26.35 -35.49 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 113.818 -1.537 . . . . 0.0 113.845 167.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.815 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 55.1 t80 -59.29 -55.96 28.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.991 -1.068 . . . . 0.0 111.691 173.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.6 mt -50.44 -40.08 49.46 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.651 1.18 . . . . 0.0 111.8 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.868 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -84.26 -33.18 24.09 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.982 -1.074 . . . . 0.0 109.423 -170.354 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.3 ttp -81.85 -23.89 36.12 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptm -89.2 -28.74 19.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.253 -0.904 . . . . 0.0 110.585 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 179.242 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 1.9 mt-10 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 121.065 0.459 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -56.65 5.7 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -156.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.09 -50.07 72.05 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -37.54 49.42 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.216 -0.927 . . . . 0.0 111.691 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -60.27 2.33 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -41.9 -48.84 4.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.318 -0.864 . . . . 0.0 113.293 169.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.81 84.5 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.441 ' HE2' ' O ' ' A' ' 20' ' ' GLY . 74.0 t80 -71.58 -30.67 66.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.294 -0.879 . . . . 0.0 112.138 -175.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -77.11 -38.48 52.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 112.929 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.28 -27.03 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.281 -0.887 . . . . 0.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -76.7 -47.78 20.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.285 -0.885 . . . . 0.0 110.396 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -73.24 96.11 2.22 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.219 -0.925 . . . . 0.0 112.837 -165.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 26.07 4.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.192 -0.942 . . . . 0.0 109.528 -168.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -129.43 -37.86 1.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.94 41.03 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 154.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.48 -23.6 67.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.209 -0.932 . . . . 0.0 112.658 155.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' HE2' ' A' ' 11' ' ' PHE . . . 135.1 -40.18 1.59 Allowed Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.235 -0.916 . . . . 0.0 115.213 -166.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.37 162.63 31.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.351 -1.088 . . . . 0.0 111.788 -160.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -104.5 148.96 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.873 1.269 . . . . 0.0 110.215 -165.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -127.13 164.76 20.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.101 -0.999 . . . . 0.0 112.73 -177.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -23.1 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.297 -0.877 . . . . 0.0 110.299 -175.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.12 -36.92 55.14 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 171.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.698 ' O ' HD13 ' A' ' 30' ' ' ILE . 78.2 mt-10 -68.63 -25.28 64.77 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.612 ' C ' HD13 ' A' ' 27' ' ' LEU . 2.5 tm? -65.07 -58.6 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.216 -0.928 . . . . 0.0 111.833 -170.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.67 -37.21 33.65 Favored Glycine 0 CA--C 1.571 3.594 0 O-C-N 121.118 -0.988 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 10.3 mt-10 -79.55 -22.24 44.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.233 -1.157 . . . . 0.0 113.881 -177.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.53 -67.01 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -0.959 . . . . 0.0 110.23 155.385 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD21 HG12 ' B' ' 43' ' ' ILE . 3.7 pp -69.48 -20.01 63.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.099 -1.001 . . . . 0.0 111.75 -167.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -129.89 27.33 5.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.166 -0.959 . . . . 0.0 110.841 178.464 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.889 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 165.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -19.62 64.83 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 172.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -72.03 -43.76 64.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.243 -0.911 . . . . 0.0 112.686 166.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.571 HG12 HD21 ' A' ' 31' ' ' LEU . 2.0 mp -53.05 -55.52 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.043 -1.036 . . . . 0.0 110.124 169.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -36.27 83.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.076 -1.015 . . . . 0.0 113.723 -173.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.74 -36.58 84.35 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.292 -0.88 . . . . 0.0 112.683 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.84 -46.15 72.61 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.699 ' C ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -83.96 -18.74 36.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.053 -1.029 . . . . 0.0 112.1 -174.415 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.699 ' HE3' ' C ' ' B' ' 47' ' ' MET . 0.0 OUTLIER -84.69 -39.13 18.92 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 109.81 173.45 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.535 -0.728 . . . . 0.0 112.465 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 32.2 t -65.34 -58.35 6.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.25 -0.906 . . . . 0.0 112.884 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.18 154.06 13.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.24 -0.912 . . . . 0.0 112.648 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 -122.89 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.209 -0.932 . . . . 0.0 109.939 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -70.2 5.99 1.47 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.024 -1.048 . . . . 0.0 113.546 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 67.79 81.73 0.19 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.88 -1.137 . . . . 0.0 113.252 165.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.97 -38.78 22.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.211 -0.931 . . . . 0.0 112.652 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.85 7.9 0.7 Allowed Glycine 0 CA--C 1.571 3.57 0 O-C-N 121.211 -0.931 . . . . 0.0 115.366 159.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.4 167.07 22.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.209 -1.171 . . . . 0.0 114.046 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' B' ' 62' ' ' GLU . 73.4 mt -114.44 129.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.096 0.958 . . . . 0.0 110.29 160.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -120.96 175.78 5.89 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.309 -1.494 . . . . 0.0 112.794 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.09 -33.77 69.44 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.76 -1.213 . . . . 0.0 111.992 -155.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -78.24 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 O-C-N 120.779 -1.201 . . . . 0.0 113.702 161.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.653 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.9 mt-10 -35.64 -30.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.627 ' HD1' ' CE ' ' B' ' 66' ' ' MET . 22.1 t80 -62.44 -50.55 71.05 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.35 -1.469 . . . . 0.0 111.848 172.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.45 -23.83 67.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.294 -0.879 . . . . 0.0 111.809 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -87.35 -53.54 4.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.148 -0.97 . . . . 0.0 109.357 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.627 ' CE ' ' HD1' ' B' ' 63' ' ' PHE . 0.9 OUTLIER -41.05 -42.06 1.85 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 177.482 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 32.9 ttm -96.91 -52.47 3.86 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.29 -0.881 . . . . 0.0 110.611 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -165.537 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 26.9 mp0 . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 121.176 0.512 . . . . 0.0 111.791 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.76 -55.86 29.59 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -91.27 -21.78 20.9 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 2.5 mt -81.52 -22.09 38.16 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.075 0.95 . . . . 0.0 111.709 169.258 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.67 29.79 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 167.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -54.77 -38.14 66.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.262 -0.899 . . . . 0.0 113.268 158.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -75.33 -47.65 26.77 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.805 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 52.3 t80 -65.85 -34.93 79.27 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 123.698 0.799 . . . . 0.0 112.143 175.331 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -66.9 -48.34 69.01 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.296 1.038 . . . . 0.0 112.952 170.512 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -67.91 -32.14 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 C-N-CA 124.173 0.989 . . . . 0.0 110.288 -169.896 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.39 -62.97 1.39 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 165.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -47.65 144.43 3.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.099 -1.001 . . . . 0.0 112.822 -169.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -119.4 38.92 3.73 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.095 -1.003 . . . . 0.0 109.206 -173.7 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.13 -26.71 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 170.001 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.86 40.43 0.19 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 160.432 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -93.09 9.59 35.22 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.264 -0.897 . . . . 0.0 112.84 156.275 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 23.31 60.79 Favored Glycine 0 CA--C 1.572 3.619 0 O-C-N 120.928 -1.107 . . . . 0.0 115.067 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -114.14 168.87 9.45 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.185 -1.185 . . . . 0.0 111.702 169.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.655 HG23 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -131.94 116.32 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 C-N-CA 124.303 1.041 . . . . 0.0 110.213 174.731 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.06 162.27 13.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.921 -1.112 . . . . 0.0 112.72 -168.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 6.4 tt -51.98 -32.34 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.0 110.052 168.775 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.35 -19.62 56.03 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.655 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.82 -49.37 62.61 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 164.143 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tp -42.03 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.648 1.579 . . . . 0.0 112.099 -169.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.31 -39.73 7.42 Favored Glycine 0 CA--C 1.571 3.577 0 O-C-N 121.143 -0.973 . . . . 0.0 115.155 -162.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.86 -34.99 44.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.273 -1.134 . . . . 0.0 113.9 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mm -50.6 -72.66 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.172 159.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 32' ' ' ARG . 3.1 pp -55.33 -27.24 45.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 111.587 -167.369 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.1 tpm_? -86.29 -73.86 0.44 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.262 -0.899 . . . . 0.0 110.86 178.797 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -155.518 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -68.81 -45.03 72.28 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -56.63 -40.19 74.98 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.204 -0.935 . . . . 0.0 112.671 168.5 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.13 -61.6 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.228 -0.92 . . . . 0.0 110.179 176.231 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -29.72 70.77 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -172.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -73.31 -29.4 62.67 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.96 0.904 . . . . 0.0 112.703 172.578 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.547 HD13 ' C ' ' B' ' 46' ' ' LEU . 3.0 tm? -73.14 -47.68 41.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 173.67 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.463 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 15.3 tpt -64.28 -40.36 95.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.027 -1.046 . . . . 0.0 112.109 175.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -23.44 36.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.187 -173.579 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -67.09 -47.58 70.81 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.614 -1.304 . . . . 0.0 112.501 162.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.1 t -69.41 -35.17 75.49 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.097 -1.002 . . . . 0.0 112.718 -166.518 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -74.51 160.78 30.47 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.171 -0.956 . . . . 0.0 112.68 -170.078 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -63.7 -135.79 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.177 -0.952 . . . . 0.0 109.812 162.845 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 6.06 1.42 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.69 -1.256 . . . . 0.0 113.493 -165.802 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 70.93 58.19 0.2 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.849 -1.157 . . . . 0.0 113.265 165.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.14 -55.14 11.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 112.629 159.128 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.01 -24.44 0.25 Allowed Glycine 0 CA--C 1.571 3.587 0 O-C-N 121.216 -0.927 . . . . 0.0 115.135 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.72 157.78 20.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.288 -1.125 . . . . 0.0 113.874 -162.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.76 HG23 ' HB2' ' B' ' 62' ' ' GLU . 80.4 mt -108.52 146.75 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.205 -0.934 . . . . 0.0 110.228 176.852 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -109.25 -173.8 2.35 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.129 0.972 . . . . 0.0 112.785 174.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.554 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -71.05 -41.24 71.02 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.76 -1.213 . . . . 0.0 112.01 -170.429 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -79.49 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 O-C-N 120.575 -1.328 . . . . 0.0 113.514 162.782 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.76 ' HB2' HG23 ' B' ' 58' ' ' ILE . 12.9 mt-10 -37.4 -30.43 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.352 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.805 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 58.9 t80 -58.44 -54.96 41.17 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.212 -1.555 . . . . 0.0 111.921 170.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.7 mt -53.86 -34.49 59.53 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 124.031 0.932 . . . . 0.0 111.695 176.187 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -78.93 -54.21 6.28 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.216 -0.928 . . . . 0.0 109.296 178.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' B' ' 66' ' ' MET . 1.8 ttm -45.91 -20.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 172.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 47.8 ttm -93.35 -71.7 0.64 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.119 -0.988 . . . . 0.0 110.527 175.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -167.538 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 121.147 0.499 . . . . 0.0 111.826 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.64 -19.76 62.64 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.75 -44.52 9.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -175.707 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.588 HD22 HD23 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -0.944 . . . . 0.0 111.703 163.239 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.92 -67.16 0.46 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -37.7 -55.02 1.18 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.98 0.912 . . . . 0.0 113.289 160.149 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -62.34 -42.24 99.22 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -178.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.577 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 65.7 t80 -70.36 -33.14 71.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.151 -0.968 . . . . 0.0 112.103 177.431 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -70.7 -38.28 73.66 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.117 -0.989 . . . . 0.0 112.902 171.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -82.21 -31.61 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.117 -0.99 . . . . 0.0 110.178 -166.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -57.94 -36.83 73.07 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 124.026 0.93 . . . . 0.0 110.471 168.321 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.71 156.33 37.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.137 -0.977 . . . . 0.0 112.761 -172.075 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -103.85 -66.65 0.94 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.176 -0.952 . . . . 0.0 109.301 162.486 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 8.0 p-10 -79.67 -40.49 28.95 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 -159.745 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.31 56.43 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 155.21 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -98.55 22.27 10.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.216 -0.927 . . . . 0.0 112.713 155.575 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.64 9.64 68.58 Favored Glycine 0 CA--C 1.573 3.667 0 O-C-N 121.174 -0.954 . . . . 0.0 115.05 169.065 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 156.98 27.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.331 -1.099 . . . . 0.0 111.679 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.05 139.61 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.227 161.603 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.25 171.06 8.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.175 -0.953 . . . . 0.0 112.713 -171.06 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 tt -72.36 -31.05 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.265 -0.897 . . . . 0.0 110.206 -174.455 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -31.85 68.85 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.547 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.54 -19.83 57.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 171.057 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' CD2' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -70.26 -71.98 0.22 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.257 -0.902 . . . . 0.0 111.865 -165.808 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.32 -26.65 0.21 Allowed Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.181 -0.949 . . . . 0.0 115.17 165.33 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.69 -46.02 20.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.262 -1.14 . . . . 0.0 113.862 -172.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mm -54.62 -57.64 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.229 161.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 27' ' ' LEU . 2.0 mt -81.7 6.07 16.43 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 121.023 -1.048 . . . . 0.0 111.493 -171.053 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.98 42.13 0.45 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.203 -0.935 . . . . 0.0 110.842 167.593 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.894 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -13.08 25.41 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.639 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -79.02 -43.97 23.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.236 -0.915 . . . . 0.0 112.648 175.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -59.77 -41.86 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.201 -0.937 . . . . 0.0 110.199 167.434 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.542 ' CD ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -74.89 -30.65 61.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.075 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.25 -28.86 64.46 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.944 0.897 . . . . 0.0 112.755 166.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tp -72.11 -42.89 65.55 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 173.751 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.411 ' CE ' HD11 ' B' ' 58' ' ' ILE . 7.5 tpt -92.08 12.05 23.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.156 -0.965 . . . . 0.0 112.107 171.847 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.542 ' HE3' ' CD ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -91.49 -43.1 9.89 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.28 -0.888 . . . . 0.0 109.907 159.803 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.46 -45.94 74.5 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.509 -0.744 . . . . 0.0 112.469 176.28 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.8 t -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.295 -0.878 . . . . 0.0 112.89 -177.412 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 161.57 19.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.259 -0.901 . . . . 0.0 112.656 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -117.6 -119.12 0.31 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.193 -0.942 . . . . 0.0 109.924 -178.221 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -79.03 20.28 0.49 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 161.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 76.29 41.54 0.21 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.894 1.278 . . . . 0.0 113.169 163.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.97 59.29 4.27 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.432 1.093 . . . . 0.0 112.527 153.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -45.65 -28.52 2.54 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.24 -0.912 . . . . 0.0 115.24 -161.04 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.68 126.1 26.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -1.171 . . . . 0.0 113.838 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.96 HG23 ' HB2' ' B' ' 62' ' ' GLU . 42.9 mt -105.1 148.02 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 124.118 0.967 . . . . 0.0 110.171 -161.387 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -116.99 -173.38 2.39 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.25 1.02 . . . . 0.0 112.839 171.11 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -58.08 -36.18 72.46 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.91 -1.119 . . . . 0.0 112.128 -171.652 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.28 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.898 2.285 . . . . 0.0 111.381 173.176 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.96 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.3 mm-40 -23.96 -38.48 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 125.617 1.567 . . . . 0.0 113.768 166.82 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.577 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 50.4 t80 -61.78 -54.01 48.12 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.337 -0.852 . . . . 0.0 112.063 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.588 HD23 HD22 ' A' ' 7' ' ' LEU . 42.8 mt -55.78 -31.97 63.07 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.095 0.958 . . . . 0.0 111.874 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -85.08 -45.98 11.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.057 -1.027 . . . . 0.0 109.385 178.371 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -56.92 -29.91 63.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.6 ttp -87.18 -71.75 0.55 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.177 -0.952 . . . . 0.0 110.597 165.551 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -162.716 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 24.5 tt0 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.165 0.507 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.4 tt0 -45.73 -62.97 1.08 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -170.084 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.64 -13.81 44.49 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -164.301 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' B' ' 67' ' ' MET . 0.1 OUTLIER -77.75 -28.21 50.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 111.721 162.454 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -66.89 -61.19 2.07 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -43.39 -46.4 6.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.238 165.214 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -60.55 -36.15 77.77 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 13.1 t80 -71.33 -32.87 69.1 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.204 -0.935 . . . . 0.0 112.121 -176.547 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.06 -33.46 38.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.172 -0.955 . . . . 0.0 112.924 169.369 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -68.51 -33.86 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.165 0.986 . . . . 0.0 110.249 -175.255 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.759 ' HE2' HG21 ' A' ' 30' ' ' ILE . 23.5 m-85 -56.59 -53.05 62.12 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 159.509 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -71.02 142.04 50.93 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.14 -0.975 . . . . 0.0 112.753 -161.493 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.93 -57.08 10.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.089 -1.007 . . . . 0.0 109.161 -173.718 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -131.91 7.21 4.35 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -163.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.44 52.96 2.23 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 157.152 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -86.74 -8.54 57.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.237 -0.914 . . . . 0.0 112.748 164.287 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.68 -19.33 7.5 Favored Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.118 -0.989 . . . . 0.0 115.244 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -112.43 161.35 16.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.253 -1.146 . . . . 0.0 111.738 -163.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.702 HG23 ' CG ' ' A' ' 26' ' ' GLU . 92.5 mt -120.13 131.43 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.149 -0.97 . . . . 0.0 110.275 165.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -110.09 176.39 5.07 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 112.767 -166.252 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -27.6 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.144 -0.972 . . . . 0.0 110.255 171.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -70.22 -37.16 74.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.942 -1.099 . . . . 0.0 113.716 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.702 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -74.17 -49.78 22.11 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.682 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD22 HG23 ' B' ' 43' ' ' ILE . 8.1 tt -46.86 -58.09 4.27 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 125.333 1.453 . . . . 0.0 111.952 -170.295 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.95 -35.54 32.52 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.108 -0.995 . . . . 0.0 115.072 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -80.56 -28.42 37.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.263 -1.14 . . . . 0.0 113.877 177.432 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.759 HG21 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -54.83 -63.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.27 -0.894 . . . . 0.0 110.196 165.055 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 HD11 ' B' ' 43' ' ' ILE . 1.7 mt -53.75 -43.41 69.11 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 121.082 -1.012 . . . . 0.0 111.296 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -85.18 -57.9 2.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.443 -0.786 . . . . 0.0 110.836 -171.093 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 -159.824 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -66.34 -38.0 86.62 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.15 -43.07 75.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.168 -0.958 . . . . 0.0 112.62 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.518 HD11 HD12 ' A' ' 31' ' ' LEU . 1.7 mp -63.18 -52.3 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.173 -0.954 . . . . 0.0 110.24 172.81 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -40.42 96.19 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -63.92 -44.19 93.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.33 -0.856 . . . . 0.0 112.683 174.596 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.68 ' O ' HD22 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -71.64 -49.32 41.1 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -176.732 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.9 tpt -65.38 -43.87 89.35 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.943 -1.098 . . . . 0.0 112.078 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.23 -19.8 29.43 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.324 -0.86 . . . . 0.0 110.313 -169.696 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.9 -53.51 31.37 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.509 -1.37 . . . . 0.0 112.45 159.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -64.66 -16.73 63.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.271 -0.893 . . . . 0.0 112.881 -178.191 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.51 149.67 42.11 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.13 -0.981 . . . . 0.0 112.612 -174.424 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -142.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.134 -0.979 . . . . 0.0 110.081 156.452 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -74.78 13.21 0.67 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.977 -1.077 . . . . 0.0 113.468 -162.657 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 75.48 35.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.02 -1.05 . . . . 0.0 113.215 159.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.5 54.33 1.89 Allowed 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.25 1.02 . . . . 0.0 112.616 154.454 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.85 74.84 0.28 Allowed Glycine 0 CA--C 1.572 3.634 0 O-C-N 121.171 -0.956 . . . . 0.0 115.106 -162.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -42.12 154.58 0.05 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.29 -1.124 . . . . 0.0 113.879 165.306 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.978 HG23 ' HB2' ' B' ' 62' ' ' GLU . 23.1 mt -94.95 145.04 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.464 1.106 . . . . 0.0 110.234 -161.22 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.52 -174.57 2.59 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.13 0.972 . . . . 0.0 112.829 173.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.62 -35.15 78.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.86 -1.15 . . . . 0.0 111.925 -169.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -83.98 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 125.031 2.348 . . . . 0.0 111.363 168.724 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.978 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.5 mm-40 -25.74 -35.63 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 CA-C-N 113.847 -1.524 . . . . 0.0 113.865 166.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.593 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 1.9 t80 -62.72 -55.23 28.55 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.032 -1.042 . . . . 0.0 112.015 173.569 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.5 -38.27 71.55 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 123.906 0.882 . . . . 0.0 111.824 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -24.06 34.4 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.079 -1.013 . . . . 0.0 109.369 -176.693 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.8 ttp -71.13 -43.84 66.8 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 177.467 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.506 ' HE1' HD13 ' A' ' 7' ' ' LEU . 7.0 ptt? -113.09 15.06 19.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.035 -1.041 . . . . 0.0 110.653 -176.799 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.497 1.909 0 C-N-CA 124.761 1.225 . . . . 0.0 113.924 157.642 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.907 0 CA-C-O 120.943 0.401 . . . . 0.0 112.062 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.59 -65.53 0.67 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.63 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.7 -51.39 68.99 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -54.08 49.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.26 -0.9 . . . . 0.0 111.747 -177.186 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' B' ' 60' ' ' PHE . . . -71.67 -39.32 70.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -175.861 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -42.7 -50.49 5.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.278 -0.889 . . . . 0.0 113.241 157.247 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.82 61.41 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.449 ' HB2' ' CE2' ' B' ' 63' ' ' PHE . 80.7 t80 -76.46 -34.07 58.72 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.271 -0.893 . . . . 0.0 112.143 -178.265 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -70.62 -38.08 73.88 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.248 -0.908 . . . . 0.0 112.914 165.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mm -72.07 -31.56 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -174.86 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -65.77 -49.73 67.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.333 -0.854 . . . . 0.0 110.479 163.427 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.77 136.93 56.87 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.164 -0.96 . . . . 0.0 112.746 -162.084 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -115.74 -36.32 4.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.108 -0.995 . . . . 0.0 109.228 -162.696 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -95.73 -29.28 14.36 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.539 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.09 52.24 0.2 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 168.211 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.63 -2.48 41.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.295 -0.878 . . . . 0.0 112.703 156.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.64 -18.69 46.81 Favored Glycine 0 CA--C 1.571 3.568 0 O-C-N 121.196 -0.94 . . . . 0.0 115.352 -172.036 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -113.28 157.37 21.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.259 . . . . 0.0 111.815 -166.021 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 mt -103.72 132.49 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.122 -0.986 . . . . 0.0 110.259 169.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -108.82 169.36 8.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.121 -0.987 . . . . 0.0 112.711 -173.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -28.73 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.397 -0.814 . . . . 0.0 110.151 177.693 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -36.63 64.01 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 59.1 mt-10 -71.12 -29.34 65.13 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.475 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' CD1' HD11 ' A' ' 31' ' ' LEU . 2.9 tm? -69.54 -63.15 1.13 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 111.832 -166.381 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -25.89 -84.45 0.01 OUTLIER Glycine 0 CA--C 1.572 3.619 0 O-C-N 121.201 -0.937 . . . . 0.0 115.223 160.544 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.518 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 5.5 pt-20 -60.28 -20.71 60.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -1.197 . . . . 0.0 113.912 -167.555 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -58.72 -62.02 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.203 -0.936 . . . . 0.0 110.209 163.636 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD11 ' CD1' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -54.82 -66.41 0.41 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.08 . . . . 0.0 111.179 170.241 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -50.98 64.5 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.227 -0.92 . . . . 0.0 110.881 -166.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.939 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -158.555 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.04 -39.78 78.97 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.7 -33.35 68.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.197 -0.94 . . . . 0.0 112.678 178.389 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.11 -49.34 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.127 -0.983 . . . . 0.0 110.165 164.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -36.45 81.7 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.702 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.06 -41.28 97.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.331 -0.855 . . . . 0.0 112.668 171.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.01 -55.45 32.69 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 170.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.7 tpt -82.32 -6.82 59.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.602 -1.311 . . . . 0.0 112.112 -167.827 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -87.53 -43.29 12.13 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.896 . . . . 0.0 109.815 165.126 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.5 -26.8 66.53 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.566 -0.709 . . . . 0.0 112.427 -177.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -86.06 -40.49 15.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.273 -0.892 . . . . 0.0 112.825 173.345 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -77.33 67.95 3.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.329 -0.857 . . . . 0.0 112.672 -169.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -69.44 -34.94 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.22 -0.925 . . . . 0.0 109.974 -165.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -65.1 -21.98 66.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.309 -0.869 . . . . 0.0 113.264 -176.363 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 54.58 81.32 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.219 -0.926 . . . . 0.0 113.255 -176.499 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.71 -20.28 2.03 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.565 1.146 . . . . 0.0 112.74 165.931 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.11 59.08 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.011 -1.056 . . . . 0.0 115.09 169.016 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -162.31 151.25 15.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.199 -1.177 . . . . 0.0 113.959 171.682 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.979 HG23 ' HB2' ' B' ' 62' ' ' GLU . 70.8 mt -110.36 135.44 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.208 -0.932 . . . . 0.0 110.317 -162.66 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -120.5 173.07 7.39 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.296 1.038 . . . . 0.0 112.818 169.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.501 ' HE2' ' HB2' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.32 -34.32 66.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.825 -1.172 . . . . 0.0 112.067 -156.15 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -78.13 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.656 0 O-C-N 120.372 -1.455 . . . . 0.0 113.411 161.193 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.979 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.0 mt-10 -40.98 -31.01 0.15 Allowed 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 172.291 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 3.9 t80 -58.54 -53.32 59.71 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 119.89 -1.757 . . . . 0.0 112.045 170.368 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.4 mt -54.98 -26.04 33.95 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.19 0.996 . . . . 0.0 111.724 -177.274 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -43.37 10.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.244 -0.91 . . . . 0.0 109.464 174.754 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.01 -57.04 3.57 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 171.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' B' ' 68' ' ' GLU . 6.0 ttm -64.15 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.082 0.953 . . . . 0.0 110.599 166.452 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' B' ' 67' ' ' MET . 5.9 mt-10 . . . . . 0 CA--C 1.574 1.873 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -163.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.0 pt-20 . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 121.263 0.554 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -64.71 -23.7 67.33 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -69.31 -62.56 1.33 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 171.017 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.912 HD22 HD23 ' B' ' 64' ' ' LEU . 5.8 mp -55.52 -21.37 16.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.086 -1.009 . . . . 0.0 111.707 167.359 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -59.05 -68.49 0.27 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.126 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -50.62 -44.04 57.1 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.246 -0.909 . . . . 0.0 113.307 169.558 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -60.89 -43.07 98.99 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.588 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 84.9 t80 -69.01 -27.65 65.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.348 -0.845 . . . . 0.0 111.93 177.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -68.34 -36.67 79.6 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.914 0.886 . . . . 0.0 113.058 163.498 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.86 -38.8 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 124.3 1.04 . . . . 0.0 110.288 -176.11 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.695 ' CE2' HG21 ' A' ' 30' ' ' ILE . 11.1 m-85 -58.48 -52.09 67.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.307 -0.871 . . . . 0.0 110.378 175.186 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.72 146.38 33.95 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.222 -0.924 . . . . 0.0 112.822 -170.654 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HG2' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.6 -37.32 87.17 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.11 -0.994 . . . . 0.0 109.178 -170.509 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 6.4 m120 -140.47 -33.04 0.57 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -158.874 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.73 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 156.195 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.4 -23.08 64.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.258 -0.901 . . . . 0.0 112.681 156.845 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.549 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 130.37 20.39 1.27 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.258 -0.901 . . . . 0.0 115.301 155.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.577 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -124.05 168.8 12.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.301 -1.117 . . . . 0.0 111.591 177.072 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 mt -110.81 162.64 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.043 -1.036 . . . . 0.0 110.243 165.147 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.53 158.36 27.47 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.13 -0.981 . . . . 0.0 112.623 164.825 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.861 HD12 HD13 ' A' ' 27' ' ' LEU . 1.8 tp -59.61 -31.38 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.418 -0.802 . . . . 0.0 110.186 174.141 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.11 -28.32 68.72 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 177.037 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.597 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 89.0 mt-10 -75.78 -24.61 56.01 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 166.025 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.861 HD13 HD12 ' A' ' 24' ' ' ILE . 8.9 tt -69.42 -52.75 23.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.225 -0.922 . . . . 0.0 111.833 -159.214 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.39 -30.83 78.75 Favored Glycine 0 CA--C 1.571 3.559 0 O-C-N 121.171 -0.955 . . . . 0.0 115.163 176.015 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.2 tt0 -75.38 -35.63 61.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.161 . . . . 0.0 113.86 176.846 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.695 HG21 ' CE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -55.96 -65.89 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.208 163.84 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.38 -24.32 67.2 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.128 -0.982 . . . . 0.0 111.709 -164.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 -16.31 12.91 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.115 -0.991 . . . . 0.0 110.873 -168.613 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.2 -41.53 98.45 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 173.561 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.13 -35.62 80.12 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.233 -0.917 . . . . 0.0 112.64 175.596 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.25 -35.32 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.217 -0.927 . . . . 0.0 110.227 169.845 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.81 -34.16 71.45 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.58 -42.33 91.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.282 -0.886 . . . . 0.0 112.662 166.838 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.2 tp -51.55 -46.77 63.49 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 168.328 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.9 tpt -70.25 -42.9 71.59 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.095 -176.255 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -85.82 -18.39 33.02 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 -172.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.02 -58.36 5.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.499 -1.376 . . . . 0.0 112.466 157.142 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.0 m -55.66 -32.6 63.35 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.143 -0.973 . . . . 0.0 112.709 -174.162 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -76.97 104.6 7.55 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.253 -0.904 . . . . 0.0 112.675 -168.234 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -55.2 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.225 -0.922 . . . . 0.0 109.917 -177.341 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -65.7 -2.57 3.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.267 -0.896 . . . . 0.0 113.41 -167.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 58.79 84.3 0.11 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.103 -0.998 . . . . 0.0 113.251 170.281 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.5 -17.39 1.0 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.242 -0.911 . . . . 0.0 112.746 172.435 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.74 8.82 56.9 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 120.858 -1.151 . . . . 0.0 115.115 165.254 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -147.43 151.74 36.96 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.224 -1.162 . . . . 0.0 113.838 167.645 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.788 HG23 ' HB2' ' B' ' 62' ' ' GLU . 65.4 mt -105.86 151.97 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.133 -0.979 . . . . 0.0 110.202 -156.735 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -118.23 -167.46 1.36 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.088 -1.008 . . . . 0.0 112.717 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.33 -39.0 93.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.034 -1.041 . . . . 0.0 112.091 -176.156 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.55 -84.72 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.827 2.251 . . . . 0.0 111.324 171.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.788 ' HB2' HG23 ' B' ' 58' ' ' ILE . 30.9 mt-10 -27.21 -35.28 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.905 -1.498 . . . . 0.0 113.868 167.846 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.588 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -61.17 -55.95 26.36 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.977 -1.077 . . . . 0.0 111.846 174.455 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.912 HD23 HD22 ' A' ' 7' ' ' LEU . 19.6 mt -51.01 -42.17 60.25 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.689 1.196 . . . . 0.0 111.888 175.777 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -98.92 -9.56 23.97 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.995 -1.066 . . . . 0.0 109.646 -164.118 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -90.42 -40.17 12.2 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 166.706 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -53.88 14.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.198 -0.938 . . . . 0.0 110.615 162.36 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 162.348 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 121.203 0.525 . . . . 0.0 111.859 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.08 -23.48 62.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -177.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -102.68 -28.36 12.17 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.045 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.426 HD22 HD23 ' B' ' 64' ' ' LEU . 5.7 mp -74.47 -25.91 59.69 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.046 0.938 . . . . 0.0 111.753 161.352 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HA ' ' HE1' ' B' ' 60' ' ' PHE . . . -68.2 -54.9 14.55 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.229 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.84 -31.7 69.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.253 -0.904 . . . . 0.0 113.182 170.221 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.09 86.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 166.904 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HD1' ' CG ' ' B' ' 63' ' ' PHE . 64.4 t80 -78.38 -30.11 47.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.37 -0.831 . . . . 0.0 112.214 -178.365 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -56.97 12.11 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.306 1.042 . . . . 0.0 112.922 163.603 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.43 -28.39 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.2 -0.938 . . . . 0.0 110.269 -170.325 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -72.83 -38.16 67.22 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.917 0.887 . . . . 0.0 110.414 174.11 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.6 122.59 20.79 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.263 -0.898 . . . . 0.0 112.798 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HD3' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -91.07 13.57 16.47 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.016 -1.052 . . . . 0.0 109.879 -162.754 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 1.9 p30 -170.46 -25.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.383 -1.448 . . . . 0.0 114.651 -154.445 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.57 55.31 2.8 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 161.458 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.69 -20.1 21.94 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.226 -0.922 . . . . 0.0 112.746 154.587 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.41 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 126.05 2.51 7.15 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.111 -0.993 . . . . 0.0 115.151 171.47 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 5.5 m-30 -120.08 170.43 9.3 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.215 -1.168 . . . . 0.0 111.662 -175.348 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.812 HG23 ' CG ' ' A' ' 26' ' ' GLU . 62.9 mt -127.49 121.14 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 C-N-CA 124.195 0.998 . . . . 0.0 110.199 175.548 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' B' ' 57' ' ' ARG . 25.4 p30 -98.99 161.75 13.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.964 -1.085 . . . . 0.0 112.849 -174.153 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -9.06 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.291 -0.881 . . . . 0.0 110.527 175.826 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -80.79 -40.15 25.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.469 -1.394 . . . . 0.0 113.746 170.714 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.812 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.82 -50.82 65.21 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.311 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.755 HD11 HG12 ' B' ' 43' ' ' ILE . 2.1 tm? -44.21 -73.22 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.337 1.455 . . . . 0.0 111.966 -171.024 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.547 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -48.72 -42.51 28.45 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.174 -0.954 . . . . 0.0 115.1 -177.323 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.74 -36.46 78.42 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.224 -1.162 . . . . 0.0 113.903 178.625 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.552 HG22 HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -58.46 -61.61 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.115 -0.99 . . . . 0.0 110.209 162.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 ' CD2' ' A' ' 27' ' ' LEU . 3.6 mt -79.62 25.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 121.01 -1.056 . . . . 0.0 111.45 -178.173 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 tpt85 -155.76 -64.26 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.333 -0.855 . . . . 0.0 110.831 163.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -159.946 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.81 -33.11 72.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -178.842 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.55 -47.21 86.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.226 -0.921 . . . . 0.0 112.705 168.015 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.755 HG12 HD11 ' A' ' 27' ' ' LEU . 8.7 mt -63.73 -51.72 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.234 -0.916 . . . . 0.0 110.272 -174.457 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -33.98 77.19 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.45 -46.67 89.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.264 -0.898 . . . . 0.0 112.622 165.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.81 -44.74 61.11 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -175.599 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 6.6 ttt -87.8 11.11 16.32 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.054 -1.029 . . . . 0.0 112.083 176.62 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.7 -34.96 11.17 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 123.902 0.881 . . . . 0.0 109.869 156.682 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -67.49 -58.99 3.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 112.468 175.555 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 -16.18 58.59 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.187 -0.946 . . . . 0.0 112.907 -176.423 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -65.09 134.59 54.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.176 -0.952 . . . . 0.0 112.68 165.758 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -99.09 0.25 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.263 -0.898 . . . . 0.0 110.015 -176.738 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.17 12.42 2.87 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -170.47 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 59.17 48.37 10.55 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.98 0.912 . . . . 0.0 113.293 -164.081 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -106.13 54.67 0.68 Allowed 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 124.798 1.239 . . . . 0.0 112.435 153.646 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.74 27.1 0.92 Allowed Glycine 0 CA--C 1.57 3.497 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -159.845 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -88.04 122.97 32.26 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.904 -1.351 . . . . 0.0 113.808 161.786 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.882 HG23 ' HB2' ' B' ' 62' ' ' GLU . 40.3 mt -101.95 149.13 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.032 -1.042 . . . . 0.0 110.122 -156.873 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -119.27 -174.72 2.78 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.07 -1.019 . . . . 0.0 112.829 171.357 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.458 ' HE1' ' HA ' ' A' ' 8' ' ' ALA . 42.0 t80 -62.3 -32.15 72.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.947 -1.095 . . . . 0.0 112.014 -166.102 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.72 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.151 0 CA-C-O 124.652 2.168 . . . . 0.0 111.516 172.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.882 ' HB2' HG23 ' B' ' 58' ' ' ILE . 35.3 mt-10 -24.44 -41.71 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.734 0 CA-C-N 113.825 -1.534 . . . . 0.0 113.614 166.418 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.625 ' CG ' ' HD1' ' A' ' 11' ' ' PHE . 58.2 t80 -60.41 -48.86 79.92 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.437 -0.79 . . . . 0.0 111.719 179.133 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 7' ' ' LEU . 27.6 mt -60.35 -29.87 69.18 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 124.823 1.249 . . . . 0.0 111.86 173.527 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -45.37 9.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -163.614 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.822 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.72 2.81 31.93 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 167.57 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -73.49 0.24 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.029 -1.045 . . . . 0.0 110.514 156.221 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -167.347 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 121.716 0.769 . . . . 0.0 111.825 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 8.3 tt0 -49.57 -26.88 3.88 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -164.128 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.88 -54.59 5.67 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -178.644 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.905 HD12 HD23 ' B' ' 64' ' ' LEU . 1.2 mt -58.23 -15.51 10.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.208 -0.933 . . . . 0.0 111.768 164.747 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -70.86 -65.32 0.75 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 166.851 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -40.66 -51.92 2.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.247 -0.908 . . . . 0.0 113.232 163.248 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.43 84.09 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 -176.405 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.499 ' HD1' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -68.8 -42.56 77.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.214 -0.929 . . . . 0.0 112.066 179.086 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -53.03 -41.07 64.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.132 -0.98 . . . . 0.0 112.924 167.013 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.62 -33.33 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.504 1.122 . . . . 0.0 110.204 -171.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -56.58 -41.33 76.76 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.373 -0.829 . . . . 0.0 110.43 170.548 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.86 168.57 19.18 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.179 -0.95 . . . . 0.0 112.794 -159.064 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.695 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -101.08 -79.1 0.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 161.598 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.695 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 19.9 t30 -86.8 -36.38 18.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -162.627 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.75 58.58 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 155.604 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.4 17.14 4.67 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.26 -0.9 . . . . 0.0 112.68 160.205 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.15 -1.67 54.64 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.097 -1.002 . . . . 0.0 115.439 173.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.24 163.97 14.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.235 -1.156 . . . . 0.0 111.801 -168.281 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' HD2' ' B' ' 63' ' ' PHE . 23.8 mt -122.47 138.88 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.273 1.029 . . . . 0.0 110.215 164.47 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -118.12 168.28 10.71 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.967 -1.083 . . . . 0.0 112.753 -166.898 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' SD ' ' B' ' 47' ' ' MET . 2.3 tp -60.57 -37.16 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.112 -0.993 . . . . 0.0 110.217 -173.365 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.18 -21.27 56.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.56 -23.06 53.56 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 164.125 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HG ' HD11 ' A' ' 31' ' ' LEU . 1.3 tt -74.58 -72.91 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.202 -0.937 . . . . 0.0 111.843 -161.276 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.71 60.14 Favored Glycine 0 CA--C 1.572 3.594 0 O-C-N 121.171 -0.955 . . . . 0.0 115.122 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -52.3 -59.74 4.04 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -1.171 . . . . 0.0 113.895 162.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -48.14 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.103 -0.998 . . . . 0.0 110.168 171.372 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.605 HD11 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -73.16 13.14 0.45 Allowed 'General case' 0 CA--C 1.574 1.87 0 O-C-N 121.199 -0.938 . . . . 0.0 111.467 -167.266 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -108.84 -43.52 4.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.308 -0.87 . . . . 0.0 110.851 162.062 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -172.15 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -20.45 66.05 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 164.164 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -80.06 -37.74 33.29 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.231 -0.918 . . . . 0.0 112.663 169.628 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.54 -38.22 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.146 -0.971 . . . . 0.0 110.12 163.385 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -35.09 78.27 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 172.01 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.07 -42.29 99.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 171.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 46' ' ' LEU . . . . . 0.471 HD22 ' O ' ' B' ' 46' ' ' LEU . 0.7 OUTLIER -61.39 -53.83 51.49 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 173.956 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.597 ' SD ' HD12 ' A' ' 24' ' ' ILE . 2.8 tpt -76.7 -28.81 56.01 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.755 -1.215 . . . . 0.0 111.993 -166.048 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -20.58 17.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.264 -0.897 . . . . 0.0 110.292 -176.205 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.05 -50.38 62.1 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.602 -1.311 . . . . 0.0 112.445 157.763 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -75.32 -32.32 60.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.187 -0.946 . . . . 0.0 112.873 -170.635 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.65 98.71 4.12 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.206 -0.933 . . . . 0.0 112.681 -173.032 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.92 -75.38 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.067 -174.279 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.53 -12.86 59.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.14 -0.975 . . . . 0.0 113.333 -164.08 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.1 m120 62.59 66.61 0.76 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.097 -1.002 . . . . 0.0 113.272 163.567 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -51.81 2.84 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.036 1.334 . . . . 0.0 112.625 159.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 176.9 -26.92 0.06 OUTLIER Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.246 -0.909 . . . . 0.0 115.042 174.114 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -115.77 171.05 8.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.263 -1.14 . . . . 0.0 113.907 -157.866 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.968 HG23 ' HB2' ' B' ' 62' ' ' GLU . 39.0 mt -103.34 151.9 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 124.338 1.055 . . . . 0.0 110.206 166.72 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -125.2 -153.48 0.57 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.314 1.045 . . . . 0.0 112.731 160.04 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.472 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -79.67 -40.51 28.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.857 -1.152 . . . . 0.0 112.156 -162.68 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.04 -75.27 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 113.853 164.178 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.968 ' HB2' HG23 ' B' ' 58' ' ' ILE . 3.2 mt-10 -33.18 -49.99 0.28 Allowed 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 165.808 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.462 ' HD2' HD12 ' A' ' 22' ' ' ILE . 9.4 t80 -53.25 -35.72 60.31 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.22 -0.925 . . . . 0.0 111.863 -177.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.905 HD23 HD12 ' A' ' 7' ' ' LEU . 23.2 mt -71.12 -33.09 69.8 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.022 0.929 . . . . 0.0 111.781 -179.407 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 -38.15 21.08 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.256 -0.903 . . . . 0.0 109.358 179.304 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.9 ttp -55.95 -59.6 4.66 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.676 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -46.58 -65.36 0.57 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.248 -0.908 . . . . 0.0 110.521 168.275 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -159.715 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 121.185 0.517 . . . . 0.0 111.893 . . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.786 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -61.66 -54.64 40.12 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -159.307 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -63.08 -57.33 10.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -22.93 27.36 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.268 -0.895 . . . . 0.0 111.731 169.902 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -62.42 -66.56 0.52 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 169.504 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -35.03 -58.91 0.52 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 123.942 0.897 . . . . 0.0 113.254 160.221 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.34 80.28 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -174.473 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.679 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 66.8 t80 -76.99 -32.23 57.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -0.893 . . . . 0.0 112.247 -178.644 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.51 -56.32 21.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.152 -0.968 . . . . 0.0 112.902 160.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mm -65.15 -33.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.053 0.941 . . . . 0.0 110.266 -166.335 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -54.96 -67.58 0.26 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.23 -0.919 . . . . 0.0 110.39 165.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -55.5 128.72 35.8 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.141 0.976 . . . . 0.0 112.854 -164.371 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -65.82 -68.63 0.35 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 175.502 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 34.5 t-20 -85.1 -30.6 23.91 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -161.687 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.22 48.2 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 159.624 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -76.69 -11.68 59.88 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.266 -0.896 . . . . 0.0 112.696 159.218 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.02 55.63 Favored Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.052 -1.03 . . . . 0.0 115.227 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -117.04 159.08 23.08 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.236 -1.155 . . . . 0.0 111.693 176.883 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.5 mt -117.63 151.28 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.195 0.998 . . . . 0.0 110.213 172.094 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -127.45 173.2 10.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.06 -1.025 . . . . 0.0 112.74 -162.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -39.48 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.58 -25.37 59.23 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -177.006 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -77.08 -29.56 55.03 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 169.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.98 -67.3 0.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.194 -0.941 . . . . 0.0 111.879 -172.514 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.6 -38.0 5.26 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.159 178.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -80.15 -35.35 36.73 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.24 -1.153 . . . . 0.0 113.86 -177.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -56.14 -57.94 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.28 -0.888 . . . . 0.0 110.228 166.377 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.536 HD21 HG13 ' B' ' 43' ' ' ILE . 4.6 pp -64.29 -16.19 61.67 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.052 -1.03 . . . . 0.0 111.732 178.819 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -97.39 -20.77 17.59 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.166 -0.959 . . . . 0.0 111.007 174.898 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.682 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -64.46 -29.53 70.57 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 174.136 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.86 -38.58 88.8 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.212 -0.93 . . . . 0.0 112.636 168.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.536 HG13 HD21 ' A' ' 31' ' ' LEU . 1.6 mp -66.2 -42.64 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.218 -0.926 . . . . 0.0 110.281 172.606 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.49 77.87 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.343 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -74.17 -34.29 63.76 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.04 0.936 . . . . 0.0 112.698 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.42 -45.63 84.42 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 160.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.5 ttt -80.37 7.84 8.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.155 -0.966 . . . . 0.0 112.139 -175.301 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -34.45 5.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.318 -0.864 . . . . 0.0 109.961 161.597 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -67.37 -34.19 76.77 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 0.0 112.454 173.721 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -86.97 -40.22 14.98 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.247 -0.908 . . . . 0.0 112.897 170.698 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -74.45 119.11 18.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.247 -0.908 . . . . 0.0 112.641 179.004 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -62.51 1.36 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.082 -1.012 . . . . 0.0 110.061 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 -30.06 70.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.324 -0.86 . . . . 0.0 113.258 -179.099 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 56.22 43.76 26.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.17 -0.956 . . . . 0.0 113.242 167.448 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -32.56 36.03 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.166 -0.959 . . . . 0.0 112.722 158.901 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.09 -11.54 0.19 Allowed Glycine 0 CA--C 1.571 3.586 0 O-C-N 121.107 -0.996 . . . . 0.0 115.234 161.931 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -151.32 162.73 40.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.244 -1.151 . . . . 0.0 113.853 -156.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.952 HG23 ' HB2' ' B' ' 62' ' ' GLU . 77.5 mt -109.58 150.21 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.209 -0.932 . . . . 0.0 110.225 -159.676 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -122.3 -165.88 1.34 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.063 -1.023 . . . . 0.0 112.739 166.792 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 112.048 -164.416 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.719 -1.238 . . . . 0.0 113.613 163.769 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.952 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.0 OUTLIER -34.42 -35.69 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.065 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 8.3 t80 -59.4 -49.18 78.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.559 -1.338 . . . . 0.0 111.927 174.813 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.28 -28.5 69.37 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.283 -0.886 . . . . 0.0 111.744 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -53.5 16.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.035 -1.041 . . . . 0.0 109.332 167.77 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.488 ' HE3' ' HD1' ' B' ' 63' ' ' PHE . 6.1 tmm? -61.1 -34.12 74.44 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -172.719 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -73.3 0.12 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.301 -0.874 . . . . 0.0 110.57 161.514 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -161.953 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.948 ' HG3' ' CD2' ' B' ' 64' ' ' LEU 0.26 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 121.723 0.773 . . . . 0.0 111.746 . . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -73.64 -59.54 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -171.376 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.04 -18.01 59.22 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.563 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -28.25 30.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.209 -0.932 . . . . 0.0 111.703 168.221 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -65.02 -66.96 0.48 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 169.039 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -33.06 -55.03 0.39 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.919 0.887 . . . . 0.0 113.232 161.347 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -31.49 65.91 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -173.023 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -76.24 -30.26 57.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.272 -0.892 . . . . 0.0 112.141 177.365 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -26.25 57.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.252 -0.905 . . . . 0.0 112.969 167.124 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -74.08 -34.5 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.213 176.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -71.22 -33.63 70.06 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 123.997 0.919 . . . . 0.0 110.412 177.542 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.17 106.46 11.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.95 . . . . 0.0 112.867 -161.69 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.25 -51.2 7.67 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.134 -0.978 . . . . 0.0 109.413 -162.029 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.7 m120 -101.27 -30.01 11.75 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.222 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 84.12 43.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 154.128 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.64 -17.29 62.76 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.94 -1.1 . . . . 0.0 112.364 153.862 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.62 -41.63 1.5 Allowed Glycine 0 CA--C 1.573 3.686 0 O-C-N 121.454 -0.779 . . . . 0.0 115.001 178.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -128.56 163.4 25.09 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.461 -1.023 . . . . 0.0 111.74 -162.558 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -99.5 154.26 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 124.135 0.974 . . . . 0.0 110.281 -162.247 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.64 173.66 10.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.139 -0.976 . . . . 0.0 112.736 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -28.43 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.904 . . . . 0.0 110.272 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.28 -37.31 85.15 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.104 -0.998 . . . . 0.0 113.692 170.783 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -74.88 -40.43 60.95 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.879 HD12 HG23 ' B' ' 43' ' ' ILE . 2.9 tm? -45.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.008 0.923 . . . . 0.0 111.961 -174.413 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.467 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -43.54 -53.38 6.04 Favored Glycine 0 CA--C 1.57 3.528 0 O-C-N 121.091 -1.006 . . . . 0.0 115.148 -174.785 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -62.94 -35.77 81.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.239 -1.154 . . . . 0.0 113.861 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.16 -55.26 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.192 171.587 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -54.49 -49.34 70.37 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.028 -1.045 . . . . 0.0 111.34 173.297 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -117.96 34.7 5.04 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.465 -0.772 . . . . 0.0 110.829 -157.133 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 165.977 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 N--CA 1.496 1.838 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.72 -21.02 63.51 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.752 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -59.9 -56.2 24.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.306 -0.871 . . . . 0.0 112.689 161.319 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.879 HG23 HD12 ' A' ' 27' ' ' LEU . 1.2 mp -59.56 -42.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.243 177.18 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -34.95 75.02 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.32 -46.99 81.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -0.859 . . . . 0.0 112.643 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.36 -46.57 69.74 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -176.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -33.63 64.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 112.013 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -84.29 -12.97 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.299 -0.876 . . . . 0.0 110.553 177.031 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.99 -58.32 5.16 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.242 -1.536 . . . . 0.0 112.442 158.057 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.29 1.86 7.03 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.096 -1.003 . . . . 0.0 113.251 177.556 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.63 122.25 19.42 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.005 -1.06 . . . . 0.0 112.633 178.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.03 -140.48 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.072 -1.018 . . . . 0.0 110.087 158.852 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -73.36 -57.26 4.14 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.223 168.864 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 58.91 99.65 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 0.0 113.377 164.219 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -37.93 -46.6 0.99 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.191 -0.943 . . . . 0.0 112.669 162.561 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.82 -39.36 0.04 OUTLIER Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.23 -0.919 . . . . 0.0 115.129 -177.968 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.69 169.31 13.94 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.174 -1.192 . . . . 0.0 113.873 -155.536 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.945 HG23 ' HB2' ' B' ' 62' ' ' GLU . 78.5 mt -111.92 137.65 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.07 -1.019 . . . . 0.0 110.297 -177.141 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -124.23 173.5 8.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.653 -1.279 . . . . 0.0 112.756 166.391 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.92 -40.72 57.79 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.441 1.096 . . . . 0.0 112.257 -153.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.29 -77.93 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.692 -1.255 . . . . 0.0 113.737 167.274 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.945 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.1 OUTLIER -31.02 -42.79 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 169.165 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -57.92 -47.81 81.74 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.951 -1.093 . . . . 0.0 112.198 178.549 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.948 ' CD2' ' HG3' ' A' ' 4' ' ' GLU . 29.2 mt -62.28 -22.12 65.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.236 -0.915 . . . . 0.0 111.761 179.593 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -87.1 -51.53 5.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.159 -0.963 . . . . 0.0 109.352 173.365 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.7 ttm -50.19 -15.24 0.21 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 176.494 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mmt -88.59 -69.18 0.72 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 156.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -155.581 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.6 mm-40 . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 121.237 0.541 . . . . 0.0 111.843 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.63 -75.46 0.2 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -155.084 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.84 66.7 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 178.313 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.772 HD21 ' HE3' ' B' ' 67' ' ' MET . 62.0 mt -89.94 -14.92 33.11 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.355 1.062 . . . . 0.0 111.778 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.93 -52.85 8.19 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 161.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -45.85 -44.48 14.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.229 -0.919 . . . . 0.0 113.263 158.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -66.19 -42.58 88.66 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 176.713 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HE2' ' HA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -74.08 -36.96 64.33 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.881 0.872 . . . . 0.0 112.033 -176.353 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -35.72 81.9 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.164 0.986 . . . . 0.0 112.944 169.612 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -76.53 -33.94 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.383 1.073 . . . . 0.0 110.25 -174.741 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.26 -29.13 65.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.314 -0.866 . . . . 0.0 110.417 169.846 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.46 156.85 37.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.208 -0.933 . . . . 0.0 112.724 -172.803 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.74 -46.71 0.49 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.045 -1.034 . . . . 0.0 109.266 178.789 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -85.2 -30.31 23.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -171.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.06 65.24 0.05 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 158.227 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.11 13.93 14.83 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.724 1.21 . . . . 0.0 112.655 156.61 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.97 32.29 82.14 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.259 -0.901 . . . . 0.0 115.112 -165.124 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -123.76 159.64 29.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.194 -1.18 . . . . 0.0 111.691 174.578 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -106.04 150.8 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.948 -1.095 . . . . 0.0 110.273 165.476 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -123.1 158.27 31.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.205 -0.935 . . . . 0.0 112.679 177.78 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.79 -28.49 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.33 -0.856 . . . . 0.0 110.196 -178.279 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.31 -29.22 57.25 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -178.733 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.692 ' O ' HD13 ' A' ' 30' ' ' ILE . 96.8 mt-10 -77.54 -32.05 53.72 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 167.201 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.973 HD12 HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -44.33 -72.71 0.05 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.296 -0.878 . . . . 0.0 111.915 -177.346 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -39.75 -65.35 0.9 Allowed Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.178 -0.951 . . . . 0.0 115.105 163.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 96.1 mt-10 -61.28 -32.17 72.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.212 -1.17 . . . . 0.0 113.859 -166.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.692 HD13 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -59.94 -59.71 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.141 -0.974 . . . . 0.0 110.239 160.87 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.973 HD23 HD12 ' A' ' 27' ' ' LEU . 3.3 pp -80.88 19.51 0.85 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.012 -1.055 . . . . 0.0 111.757 -172.112 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -129.7 -24.65 2.69 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.065 -1.022 . . . . 0.0 110.867 168.173 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -173.576 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -21.45 64.13 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.34 -29.89 15.4 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.21 -0.931 . . . . 0.0 112.682 177.733 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.3 -30.86 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.064 -1.022 . . . . 0.0 110.223 159.453 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.65 -32.81 58.22 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 173.977 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -63.29 -34.77 78.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.282 -0.886 . . . . 0.0 112.616 163.762 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -76.31 -43.23 42.24 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.254 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tpt -94.49 18.27 11.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.157 -0.964 . . . . 0.0 112.147 175.749 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -31.15 6.98 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.224 -0.923 . . . . 0.0 110.08 161.869 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.41 -65.09 0.73 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.949 -1.094 . . . . 0.0 112.457 161.143 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 50' ' ' SER . . . . . 0.586 ' O ' ' HE2' ' B' ' 52' ' ' LYS . 4.7 m -77.01 -21.42 54.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.129 -0.982 . . . . 0.0 112.884 -164.601 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.52 173.17 0.19 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.144 -0.973 . . . . 0.0 112.731 165.805 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' B' ' 50' ' ' SER . 0.0 OUTLIER -139.96 -109.71 0.15 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.932 -1.105 . . . . 0.0 110.081 170.441 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.12 22.4 0.65 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.692 -1.255 . . . . 0.0 113.828 -169.6 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 73.65 31.05 1.33 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.184 1.394 . . . . 0.0 113.101 170.666 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -92.13 55.33 2.57 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.346 1.059 . . . . 0.0 112.282 153.365 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.62 10.94 0.64 Allowed Glycine 0 CA--C 1.571 3.584 0 N-CA-C 115.842 1.097 . . . . 0.0 115.842 -158.659 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -91.49 139.18 30.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.021 -1.282 . . . . 0.0 113.878 174.421 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.926 HG23 ' HB2' ' B' ' 62' ' ' GLU . 26.7 mt -111.26 159.44 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 124.005 0.922 . . . . 0.0 110.63 -154.115 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.02 -174.17 3.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.095 -1.003 . . . . 0.0 112.815 174.487 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.625 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 1.9 t80 -65.46 -34.33 78.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 112.037 -169.026 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.98 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 124.621 2.153 . . . . 0.0 111.282 168.869 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.7 mt-10 -28.53 -36.08 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 113.885 -1.507 . . . . 0.0 113.781 167.396 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.432 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 2.9 t80 -62.28 -52.61 63.03 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.065 -1.022 . . . . 0.0 112.092 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.11 -47.21 65.41 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 125.189 1.396 . . . . 0.0 111.879 174.261 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -24.19 38.07 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.114 -0.991 . . . . 0.0 109.344 -174.393 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 31.6 ttp -67.96 -54.59 17.42 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 175.668 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.772 ' HE3' HD21 ' A' ' 7' ' ' LEU . 37.0 ttp -64.85 -41.76 95.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.219 -0.925 . . . . 0.0 110.595 176.41 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 176.867 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 CA--C 1.574 1.874 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.696 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.1 tt0 -30.25 -71.31 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 172.913 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.19 -38.86 75.43 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -164.739 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.776 HD13 ' CD2' ' B' ' 64' ' ' LEU . 33.6 mt -74.05 -18.39 60.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.546 1.139 . . . . 0.0 111.799 168.653 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.97 -60.32 2.59 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 165.505 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -41.98 -54.64 3.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.19 -0.944 . . . . 0.0 113.21 158.875 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.669 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -61.59 -39.11 90.01 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.686 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 51.1 t80 -74.9 -30.8 61.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.213 -0.929 . . . . 0.0 112.092 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -65.01 -46.84 79.72 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.172 0.989 . . . . 0.0 112.897 164.6 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.05 -29.65 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 124.416 1.086 . . . . 0.0 110.215 -166.588 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 13.8 m-30 -70.36 -37.38 74.58 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 124.062 0.945 . . . . 0.0 110.5 168.536 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -64.03 147.64 51.62 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.174 -0.954 . . . . 0.0 112.789 -178.331 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.89 -40.75 3.46 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.111 -0.993 . . . . 0.0 109.279 -177.361 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -108.44 -34.17 6.85 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.808 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.56 48.32 0.12 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 158.806 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.54 17.75 7.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.151 -0.968 . . . . 0.0 112.785 154.459 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.57 -3.22 56.21 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 121.007 -1.058 . . . . 0.0 115.424 164.895 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -119.06 154.57 32.94 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.083 -1.245 . . . . 0.0 111.668 -175.179 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 mm -94.96 125.12 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 C-N-CA 124.448 1.099 . . . . 0.0 110.279 164.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -108.63 178.86 4.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.043 -1.036 . . . . 0.0 112.785 -170.327 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.436 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 2.3 tp -67.81 -39.69 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.166 -0.959 . . . . 0.0 110.252 178.191 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.92 -27.35 63.71 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 30' ' ' ILE . 65.3 mt-10 -71.37 -28.3 63.94 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.621 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' SD ' ' B' ' 47' ' ' MET . 31.0 tp -67.39 -63.06 1.14 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.184 -0.948 . . . . 0.0 111.88 -165.104 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.42 -38.22 41.65 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.208 -0.932 . . . . 0.0 115.143 178.64 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.52 -34.93 35.22 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.18 -1.188 . . . . 0.0 113.854 -172.55 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 26' ' ' GLU . 4.5 mt -51.33 -64.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.158 -0.964 . . . . 0.0 110.175 159.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD21 HG12 ' B' ' 43' ' ' ILE . 4.5 pp -70.77 -0.6 9.27 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.007 -1.058 . . . . 0.0 111.774 -168.104 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -118.03 -75.85 0.58 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 169.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -169.615 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.49 -44.72 74.12 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.874 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -52.82 -48.15 67.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.222 -0.924 . . . . 0.0 112.663 165.543 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.505 HG12 HD21 ' A' ' 31' ' ' LEU . 2.0 mp -58.43 -60.46 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.311 -0.868 . . . . 0.0 110.134 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -34.04 77.14 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.975 -1.078 . . . . 0.0 113.742 -168.716 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.37 -34.44 70.45 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.906 0.882 . . . . 0.0 112.686 172.293 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.42 -44.23 96.92 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.644 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.526 ' SD ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -64.9 -35.76 82.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.16 -0.962 . . . . 0.0 112.078 176.927 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -27.08 57.58 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 121.246 -0.909 . . . . 0.0 110.342 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.92 -43.2 83.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.22 -0.925 . . . . 0.0 112.401 174.517 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.3 p -94.76 -26.86 16.08 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.952 . . . . 0.0 112.89 -169.797 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.65 81.17 0.84 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.177 -0.952 . . . . 0.0 112.668 -175.152 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -51.35 -61.45 2.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.224 -0.923 . . . . 0.0 109.929 -172.3 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -59.51 -31.39 69.32 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.921 . . . . 0.0 113.21 -164.162 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 16.0 m120 55.4 44.21 27.51 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 113.275 -172.477 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.26 -50.87 6.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.208 -0.932 . . . . 0.0 112.704 161.677 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -48.78 0.32 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.185 -0.947 . . . . 0.0 115.26 163.794 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -115.78 168.77 9.75 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.343 -1.093 . . . . 0.0 113.818 -161.576 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' B' ' 62' ' ' GLU . 75.2 mt -107.58 148.33 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.042 -1.036 . . . . 0.0 110.205 -172.587 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -105.57 -164.2 1.01 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.019 . . . . 0.0 112.814 170.284 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -67.33 -36.01 80.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.045 -1.034 . . . . 0.0 111.972 173.317 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.86 -84.49 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.696 2.189 . . . . 0.0 111.609 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.842 ' HB2' HG23 ' B' ' 58' ' ' ILE . 54.6 mt-10 -29.3 -34.82 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.75 0 CA-C-N 113.96 -1.473 . . . . 0.0 113.96 166.543 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.686 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 57.0 t80 -62.3 -48.08 81.47 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.982 -1.074 . . . . 0.0 111.703 176.367 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.776 ' CD2' HD13 ' A' ' 7' ' ' LEU . 19.8 mt -58.57 -41.97 86.92 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.205 1.402 . . . . 0.0 111.815 174.864 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -66.15 -33.49 75.88 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.09 -1.006 . . . . 0.0 109.415 173.659 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.581 ' HE2' HD13 ' B' ' 58' ' ' ILE . 9.5 ttm -77.42 -28.8 52.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -173.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.4 ttm -96.7 -17.36 20.38 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 110.558 -178.66 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 159.267 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.258 1.6 mm-40 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 121.009 0.433 . . . . 0.0 112.002 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -70.56 -48.7 54.07 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.338 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.05 -31.66 34.39 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.52 HD11 ' SD ' ' B' ' 67' ' ' MET . 0.1 OUTLIER -71.29 -14.57 62.26 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.27 -0.894 . . . . 0.0 111.711 162.015 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -70.75 -68.29 0.44 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 167.289 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -34.21 -54.87 0.51 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.275 -0.891 . . . . 0.0 113.268 159.711 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.46 80.39 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.508 ' HE1' HG12 ' A' ' 22' ' ' ILE . 58.1 t80 -68.44 -37.78 80.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.188 -0.945 . . . . 0.0 112.275 174.6 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.77 -37.91 67.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.157 -0.964 . . . . 0.0 112.928 174.338 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -81.59 -33.22 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 C-N-CA 124.329 1.052 . . . . 0.0 110.151 -168.35 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 30' ' ' ILE . 6.6 m-30 -48.65 -62.85 1.29 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.278 -0.889 . . . . 0.0 110.429 162.608 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.29 141.15 55.94 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.137 -0.977 . . . . 0.0 112.758 -164.752 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -74.28 -61.12 1.97 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 -170.048 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 3.3 p30 -96.95 -27.52 14.61 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -167.766 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.2 52.87 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.184 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -84.26 3.51 35.12 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.23 -0.919 . . . . 0.0 112.98 154.449 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 97.43 5.92 57.73 Favored Glycine 0 CA--C 1.571 3.569 0 O-C-N 120.533 -1.354 . . . . 0.0 115.239 163.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -110.38 160.86 16.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.148 -1.207 . . . . 0.0 111.694 174.712 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.681 HG23 ' CD ' ' A' ' 26' ' ' GLU . 7.5 mm -98.09 123.98 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.128 -0.983 . . . . 0.0 110.242 161.01 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -98.96 165.34 11.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.004 -1.06 . . . . 0.0 112.703 175.506 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -30.95 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.356 -0.84 . . . . 0.0 110.158 178.56 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -29.87 58.41 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -176.799 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.681 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.19 -47.3 80.32 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 121.203 -0.935 . . . . 0.0 113.513 171.182 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.1 tm? -53.48 -61.13 2.5 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.986 1.314 . . . . 0.0 111.93 -167.223 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -40.64 -39.55 1.83 Allowed Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.136 -0.977 . . . . 0.0 115.156 173.834 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.38 -31.42 42.86 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.23 -1.159 . . . . 0.0 113.931 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.601 HG22 HD23 ' A' ' 31' ' ' LEU . 13.1 mt -54.41 -67.31 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.205 -0.934 . . . . 0.0 110.279 161.768 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.652 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.47 -7.8 1.02 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.117 -0.989 . . . . 0.0 111.449 -176.861 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -92.91 -54.42 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.337 -0.852 . . . . 0.0 110.854 167.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -161.631 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.2 -44.79 87.23 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 173.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -47.04 85.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.19 -0.943 . . . . 0.0 112.681 174.862 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.2 -39.81 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.187 -0.946 . . . . 0.0 110.299 178.237 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -35.74 57.32 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 179.359 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.08 -26.86 61.42 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.044 0.938 . . . . 0.0 112.67 174.402 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.7 -43.45 37.58 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.644 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 19.31 0.71 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.084 -1.01 . . . . 0.0 111.968 167.285 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -130.99 -14.45 3.47 Favored 'General case' 0 N--CA 1.498 1.951 0 C-N-CA 123.844 0.858 . . . . 0.0 110.674 162.778 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.84 -42.11 86.29 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.348 -1.47 . . . . 0.0 112.426 162.587 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -105.72 -24.2 12.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.089 -1.007 . . . . 0.0 112.945 -173.257 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.18 36.02 0.5 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.277 -0.889 . . . . 0.0 112.805 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -20.73 60.9 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 109.955 -174.905 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.66 -21.07 24.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.184 -0.947 . . . . 0.0 113.229 -177.269 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.2 m120 44.32 78.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.211 -0.931 . . . . 0.0 113.249 -167.638 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.75 -40.46 0.55 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.187 0.995 . . . . 0.0 112.641 154.411 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.75 -24.63 1.8 Allowed Glycine 0 CA--C 1.571 3.547 0 N-CA-C 115.477 0.951 . . . . 0.0 115.477 175.114 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -135.1 157.58 46.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.999 -1.295 . . . . 0.0 114.215 -154.292 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' B' ' 62' ' ' GLU . 58.8 mt -110.93 151.92 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 C-N-CA 123.985 0.914 . . . . 0.0 110.425 -166.747 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.4 p30 -123.22 165.9 16.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.794 -1.191 . . . . 0.0 112.734 171.41 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -33.36 16.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.975 -1.078 . . . . 0.0 112.077 -166.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.45 -83.59 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.152 0 CA-C-O 124.7 2.19 . . . . 0.0 111.352 168.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.899 ' HB2' HG23 ' B' ' 58' ' ' ILE . 7.8 mm-40 -22.91 -43.77 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.569 165.339 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.401 ' HE1' ' HD2' ' A' ' 14' ' ' PHE . 69.4 t80 -59.92 -46.2 90.14 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.741 0.781 . . . . 0.0 111.841 -179.573 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.11 -46.93 87.97 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.47 1.108 . . . . 0.0 111.907 172.598 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -60.21 -36.61 78.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 176.828 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 28.9 ttp -76.05 -49.86 16.36 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -172.108 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 67' ' ' MET . . . . . 0.52 ' SD ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.19 -10.91 59.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.301 -0.875 . . . . 0.0 110.612 176.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 158.718 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.9 tt0 . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 121.149 0.5 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.84 -54.33 35.94 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -162.6 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -24.41 19.94 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -167.45 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -38.49 69.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.142 -0.974 . . . . 0.0 111.742 164.196 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.42 -60.79 3.17 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.3 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -37.31 -52.26 1.08 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.218 -0.926 . . . . 0.0 113.256 162.661 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.82 71.65 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -173.331 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.685 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 2.0 t80 -69.72 -41.34 75.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.331 -0.856 . . . . 0.0 112.049 179.604 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -58.76 -38.78 79.22 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 124.219 1.008 . . . . 0.0 113.027 166.044 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.75 -36.51 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.028 -1.045 . . . . 0.0 110.218 -172.272 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -57.98 -48.33 80.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.836 . . . . 0.0 110.426 172.548 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -73.01 108.75 6.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.259 -0.901 . . . . 0.0 112.77 -170.501 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -23.96 66.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.133 -0.979 . . . . 0.0 109.173 -172.561 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.11 -36.61 10.92 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 179.036 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.23 46.31 25.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.68 -25.21 64.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.233 -0.917 . . . . 0.0 112.721 154.505 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.55 -19.44 3.79 Favored Glycine 0 CA--C 1.572 3.648 0 N-CA-C 115.525 0.97 . . . . 0.0 115.525 179.708 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.72 166.01 11.76 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.25 . . . . 0.0 111.671 -168.38 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.91 155.67 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 C-N-CA 124.332 1.053 . . . . 0.0 110.29 164.826 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -121.92 168.07 12.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.141 -0.974 . . . . 0.0 112.68 172.04 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -31.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.106 -0.996 . . . . 0.0 110.23 174.385 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.95 -32.15 71.54 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.14 -33.73 59.41 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.3 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.655 HD12 HG21 ' B' ' 43' ' ' ILE . 2.5 tm? -47.76 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.576 1.15 . . . . 0.0 111.913 -169.094 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.531 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -40.6 -43.65 3.03 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.122 -0.986 . . . . 0.0 115.036 174.157 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.655 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.65 -31.11 69.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -1.126 . . . . 0.0 113.902 -176.991 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 HD23 ' A' ' 31' ' ' LEU . 4.8 mm -53.67 -69.5 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 158.756 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD23 HG22 ' A' ' 30' ' ' ILE . 1.1 mt -56.63 -16.62 6.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -0.924 . . . . 0.0 111.421 -166.631 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -126.15 -59.85 1.3 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.356 -0.84 . . . . 0.0 110.905 -179.151 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -154.765 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.47 -28.5 69.33 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.926 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.15 -47.55 82.99 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.7 173.408 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.655 HG21 HD12 ' A' ' 27' ' ' LEU . 2.9 mp -78.49 -36.07 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.208 -0.932 . . . . 0.0 110.212 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -39.87 93.07 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 178.826 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 -41.44 81.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.343 -0.848 . . . . 0.0 112.659 169.228 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.33 -45.27 76.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.451 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -47.05 13.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.176 -0.953 . . . . 0.0 112.057 -178.53 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.55 -24.86 67.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.259 -0.901 . . . . 0.0 110.033 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.24 -61.0 2.14 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.886 -1.134 . . . . 0.0 112.476 158.352 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -52.59 -25.75 11.48 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.098 -1.001 . . . . 0.0 112.804 -164.073 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.34 -163.24 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.268 -0.895 . . . . 0.0 112.723 172.698 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -73.4 0.63 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.236 -0.915 . . . . 0.0 110.05 154.811 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.47 11.32 2.06 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -161.381 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.09 32.92 19.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.068 -1.02 . . . . 0.0 113.202 -173.046 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.78 63.87 1.72 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.047 0.939 . . . . 0.0 112.613 154.355 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.59 -32.4 2.87 Favored Glycine 0 CA--C 1.571 3.589 0 O-C-N 121.298 -0.876 . . . . 0.0 115.224 -162.446 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 131.38 32.31 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.175 -1.191 . . . . 0.0 113.859 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.903 HG23 ' HB2' ' B' ' 62' ' ' GLU . 53.6 mt -105.96 145.78 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.208 -0.932 . . . . 0.0 110.2 -158.139 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -120.22 176.93 5.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.958 -1.089 . . . . 0.0 112.838 167.422 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.459 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -59.1 -36.56 75.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.046 -1.034 . . . . 0.0 111.957 -157.804 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -77.58 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.573 1.149 . . . . 0.0 113.821 167.168 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.903 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.0 mm-40 -31.01 -43.58 0.05 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 168.228 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.685 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 44.2 t80 -57.77 -46.31 84.73 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.188 -0.945 . . . . 0.0 111.86 179.224 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.82 -32.97 74.91 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.278 -0.889 . . . . 0.0 111.763 -176.219 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.55 -36.72 21.94 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 -178.268 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 2.5 ttm -53.48 -50.54 65.12 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.235 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -54.45 18.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.262 -0.899 . . . . 0.0 110.541 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -166.457 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.597 0.713 . . . . 0.0 111.721 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.91 -68.27 0.34 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.23 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -25.92 53.92 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -171.148 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mp -74.92 -21.95 58.9 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.134 0.974 . . . . 0.0 111.743 169.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.32 -56.4 6.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 164.527 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -39.29 -60.38 0.92 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.218 -0.926 . . . . 0.0 113.203 163.948 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.48 -43.51 79.71 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.843 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.2 -44.78 94.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.133 -0.979 . . . . 0.0 112.32 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -30.77 43.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.13 -0.981 . . . . 0.0 112.868 178.089 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -66.3 -37.77 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 124.198 0.999 . . . . 0.0 110.334 176.695 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -63.61 -30.68 71.76 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.967 0.907 . . . . 0.0 110.396 -174.059 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -74.18 133.38 42.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.229 -0.919 . . . . 0.0 112.808 -163.419 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -69.23 -58.4 4.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.189 -0.944 . . . . 0.0 109.298 175.641 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 8.6 t-20 -88.51 -28.94 20.47 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.574 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.18 50.03 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 167.624 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.29 10.38 34.37 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.205 -0.935 . . . . 0.0 112.712 160.411 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.15 17.12 67.76 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.083 -1.01 . . . . 0.0 115.099 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -116.24 164.13 14.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.281 -1.129 . . . . 0.0 111.672 -176.398 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.664 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -102.49 131.66 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.126 -0.984 . . . . 0.0 110.288 163.581 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 162.12 14.18 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.186 -0.946 . . . . 0.0 112.641 -178.762 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -12.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.9 . . . . 0.0 110.488 174.194 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -77.76 -37.1 49.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.559 -1.338 . . . . 0.0 113.742 169.656 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.664 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -75.22 -48.38 23.72 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -173.27 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 31' ' ' LEU . 2.4 tm? -36.79 -69.4 0.11 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.078 1.351 . . . . 0.0 112.075 177.225 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.538 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -56.8 -41.84 91.24 Favored Glycine 0 CA--C 1.571 3.545 0 O-C-N 121.097 -1.002 . . . . 0.0 115.147 -169.074 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -33.93 59.1 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.2 -1.176 . . . . 0.0 113.869 -178.745 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.16 -66.5 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 164.58 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.3 pp -59.15 -13.21 6.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.987 -1.07 . . . . 0.0 111.686 -169.637 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' N ' HD12 ' A' ' 31' ' ' LEU . 2.3 tpp85 -96.11 -37.93 10.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.149 -0.969 . . . . 0.0 110.779 172.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -165.17 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.97 -20.89 66.72 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.99 -41.18 29.66 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.247 -0.908 . . . . 0.0 112.712 179.32 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.573 HG12 HD11 ' A' ' 27' ' ' LEU . 6.2 mt -58.2 -52.41 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.142 -0.974 . . . . 0.0 110.221 164.477 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.23 -30.75 71.66 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.74 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.95 -28.48 57.96 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.045 0.938 . . . . 0.0 112.7 174.281 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.73 -47.03 56.54 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 167.622 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -86.57 19.38 2.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.852 -1.155 . . . . 0.0 112.076 170.897 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -48.12 4.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.233 -0.917 . . . . 0.0 109.86 157.205 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.56 -49.37 63.57 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.346 -0.846 . . . . 0.0 112.494 -173.189 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -13.89 59.87 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.263 -0.898 . . . . 0.0 113.053 172.802 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -82.14 16.12 2.09 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.151 -0.968 . . . . 0.0 112.655 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' B' ' 53' ' ' ASN . 0.0 OUTLIER -60.4 -43.64 96.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.21 -0.931 . . . . 0.0 109.971 -166.071 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 53' ' ' ASN . . . . . 0.437 ' N ' ' HG2' ' B' ' 52' ' ' LYS . 9.1 p30 -71.59 -1.17 12.63 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -168.791 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 62.4 41.68 9.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.752 -1.217 . . . . 0.0 113.232 -176.763 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -109.99 75.23 0.93 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.954 1.301 . . . . 0.0 112.637 154.176 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.97 2.56 0.03 OUTLIER Glycine 0 CA--C 1.571 3.541 0 O-C-N 121.278 -0.889 . . . . 0.0 115.158 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.5 146.64 41.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.277 -1.131 . . . . 0.0 113.843 157.119 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.849 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.2 mt -104.5 151.89 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.231 -162.148 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -111.51 -170.57 1.67 Allowed 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.38 1.072 . . . . 0.0 112.81 164.336 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.63 -29.93 67.53 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.817 -1.177 . . . . 0.0 112.065 -171.621 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.93 -83.02 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.122 0 CA-C-O 124.748 2.213 . . . . 0.0 111.41 169.871 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.849 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.8 mp0 -21.02 -44.18 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.666 162.469 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.87 -51.03 71.44 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.823 0.82 . . . . 0.0 111.642 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.05 -31.55 70.08 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.649 1.18 . . . . 0.0 111.817 176.132 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -37.59 69.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.112 -0.993 . . . . 0.0 109.294 171.956 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.616 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.5 ttp -74.18 -31.31 62.63 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -82.19 0.05 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.22 -0.925 . . . . 0.0 110.585 160.427 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -164.495 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.99 -37.0 85.39 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.821 -1.174 . . . . 0.0 113.863 -161.136 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -46.1 13.58 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -177.574 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.669 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -63.17 -13.14 33.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.175 -0.953 . . . . 0.0 111.785 166.454 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.77 -46.43 11.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 171.408 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -50.94 -43.3 60.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.264 -0.898 . . . . 0.0 113.243 162.639 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.9 56.06 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.655 ' HE1' HG13 ' A' ' 22' ' ' ILE . 16.7 t80 -68.44 -35.42 77.58 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.232 -0.918 . . . . 0.0 112.205 173.633 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -66.18 -40.38 90.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.927 165.549 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -71.57 -28.17 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 124.328 1.051 . . . . 0.0 110.272 -173.218 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' HD2' ' CE2' ' B' ' 63' ' ' PHE . 5.5 m-85 -73.8 -43.53 58.61 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.059 0.944 . . . . 0.0 110.412 174.436 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -70.57 125.07 25.78 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.227 -0.92 . . . . 0.0 112.786 -175.061 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.93 83.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.066 -1.022 . . . . 0.0 109.221 -165.723 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -114.16 0.47 14.25 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.28 46.99 12.03 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 163.183 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -87.26 8.63 23.33 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.216 -0.928 . . . . 0.0 112.677 161.407 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.05 35.15 71.1 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.19 -0.944 . . . . 0.0 115.141 -178.221 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.23 158.57 33.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.294 -1.121 . . . . 0.0 111.629 169.824 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.655 HG13 ' HE1' ' A' ' 11' ' ' PHE . 1.8 mt -109.1 153.16 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.015 -1.053 . . . . 0.0 110.22 160.109 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -129.54 167.61 17.64 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.031 -1.043 . . . . 0.0 112.726 168.686 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.539 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -61.18 -30.46 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.256 -0.903 . . . . 0.0 110.156 -178.806 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -23.09 39.48 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.873 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.77 -29.05 61.0 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 164.225 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 27' ' ' LEU . 2.1 tt -63.57 -70.06 0.24 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.105 -0.997 . . . . 0.0 111.872 -163.078 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.65 -28.79 47.08 Favored Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.223 -0.923 . . . . 0.0 115.118 178.663 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.79 -45.74 88.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -1.168 . . . . 0.0 113.908 171.186 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -50.73 -57.27 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.147 -0.971 . . . . 0.0 110.203 168.193 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -60.95 -15.76 34.91 Favored 'General case' 0 CA--C 1.574 1.895 0 O-C-N 121.134 -0.979 . . . . 0.0 111.42 -176.577 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -119.28 -2.11 10.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.234 -0.916 . . . . 0.0 111.392 -177.293 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.99 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 178.739 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -16.11 61.82 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.365 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.88 -33.85 22.71 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.227 -0.921 . . . . 0.0 112.698 168.725 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 24' ' ' ILE . 9.1 mm -57.58 -39.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.069 -1.02 . . . . 0.0 110.226 161.808 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -34.38 71.31 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.731 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -59.58 -48.61 80.99 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.0 112.679 167.109 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -74.11 -45.19 50.57 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.661 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -86.73 5.62 35.41 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.045 -1.035 . . . . 0.0 112.159 -179.518 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -33.04 12.0 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.257 -0.902 . . . . 0.0 110.084 157.071 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.15 -23.94 65.84 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.565 -0.71 . . . . 0.0 112.442 -178.78 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -102.11 -43.87 5.62 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.338 -0.851 . . . . 0.0 112.923 171.851 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.89 -3.32 50.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.222 -0.924 . . . . 0.0 112.755 -155.202 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 16.51 0.14 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.136 -0.978 . . . . 0.0 110.497 -161.092 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.58 9.18 1.14 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 113.612 164.114 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 m120 60.23 35.87 20.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.916 -1.115 . . . . 0.0 113.27 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.71 67.06 0.75 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.001 1.32 . . . . 0.0 112.565 154.541 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.4 1.05 Allowed Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.183 0.833 . . . . 0.0 115.183 -166.203 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -101.72 154.89 18.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -1.172 . . . . 0.0 113.821 174.526 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.955 HG23 ' HB2' ' B' ' 62' ' ' GLU . 14.2 mt -107.34 149.72 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.171 -0.955 . . . . 0.0 110.195 -154.454 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -125.06 -175.85 3.41 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.095 -1.003 . . . . 0.0 112.866 169.585 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.463 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -59.46 -40.81 88.06 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.79 -1.194 . . . . 0.0 112.322 -163.801 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -78.46 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.768 -1.207 . . . . 0.0 113.604 166.124 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.955 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.5 mt-10 -34.27 -39.86 0.08 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 172.449 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.597 ' CE2' ' HD2' ' A' ' 14' ' ' PHE . 52.4 t80 -57.02 -54.01 51.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.596 -1.315 . . . . 0.0 112.175 175.536 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 7' ' ' LEU . 53.1 mt -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.302 -0.874 . . . . 0.0 111.767 -178.408 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -81.48 -44.6 17.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -178.284 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 14.8 ttp -60.3 -33.57 72.56 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -85.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.191 -0.943 . . . . 0.0 110.531 161.447 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 N--CA 1.497 1.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -155.456 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.5 tt0 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 121.111 0.481 . . . . 0.0 111.935 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.804 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.0 tt0 -55.38 -44.33 75.97 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -157.522 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.66 -51.94 8.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.403 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.932 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -46.92 -46.15 21.09 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.144 -0.973 . . . . 0.0 111.675 160.222 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -42.24 -69.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 166.417 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -48.33 -48.94 35.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.198 -0.939 . . . . 0.0 113.254 178.571 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.08 70.82 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.438 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 69.7 t80 -72.41 -30.81 64.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.132 -0.98 . . . . 0.0 112.132 173.504 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.533 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -69.31 -49.86 51.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.108 -0.995 . . . . 0.0 112.869 162.724 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.125 0.97 . . . . 0.0 110.306 -167.527 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' A' ' 30' ' ' ILE . 12.8 m-85 -63.0 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.28 -0.888 . . . . 0.0 110.395 162.202 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -46.7 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.191 -0.943 . . . . 0.0 112.846 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 36.59 0.97 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.14 -0.975 . . . . 0.0 109.408 -165.345 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -165.02 -32.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.387 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.13 37.45 0.98 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 157.669 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -54.58 -28.85 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.22 -0.925 . . . . 0.0 112.748 156.517 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.97 -39.05 0.96 Allowed Glycine 0 CA--C 1.572 3.627 0 O-C-N 121.202 -0.936 . . . . 0.0 115.138 -179.515 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -109.82 173.27 6.4 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.256 -1.143 . . . . 0.0 111.774 -158.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' B' ' 63' ' ' PHE . 18.1 mt -112.87 141.65 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.955 -1.091 . . . . 0.0 110.297 164.617 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.85 164.43 20.04 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.16 -0.963 . . . . 0.0 112.699 -169.346 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.81 -21.76 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.198 -0.939 . . . . 0.0 110.339 -179.274 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.9 -31.59 63.19 Favored 'General case' 0 CA--C 1.573 1.827 0 O-C-N 120.899 -1.126 . . . . 0.0 113.715 169.951 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -74.05 -29.36 61.86 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 165.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 28' ' ' GLY . 2.2 tm? -51.78 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.109 0.964 . . . . 0.0 111.903 -178.149 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -51.69 -29.81 26.45 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.138 -0.976 . . . . 0.0 115.11 -177.14 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 10.4 tt0 -80.49 -29.42 37.37 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -1.131 . . . . 0.0 113.866 -179.206 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 14' ' ' PHE . 61.8 mt -53.81 -71.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.216 -0.928 . . . . 0.0 110.248 155.391 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.21 -11.81 58.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.192 -0.942 . . . . 0.0 111.728 -163.729 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -106.38 -20.41 13.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 110.833 174.547 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -67.18 -49.68 63.77 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.022 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.99 -42.97 99.99 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 112.638 178.4 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.442 HG21 HD12 ' A' ' 27' ' ' LEU . 5.5 mm -65.46 -32.42 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.255 -0.903 . . . . 0.0 110.272 176.605 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -41.51 92.35 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.153 -0.967 . . . . 0.0 113.555 168.234 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.46 -40.33 68.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.391 -0.818 . . . . 0.0 112.651 172.852 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -51.64 66.85 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 162.325 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.48 20.73 1.62 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.83 -1.169 . . . . 0.0 112.049 -166.433 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -136.81 -26.67 1.05 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.462 -0.773 . . . . 0.0 110.819 160.474 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.55 -25.27 66.04 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.091 -1.006 . . . . 0.0 112.251 167.366 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -98.31 -59.7 1.7 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.399 -0.813 . . . . 0.0 112.973 158.696 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.25 142.78 30.88 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.276 -0.89 . . . . 0.0 112.868 -154.311 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 115.06 18.35 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.138 -0.976 . . . . 0.0 109.865 153.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.39 -57.77 4.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 113.148 -154.596 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 42.74 89.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -157.75 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 0.83 54.29 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.725 -152.682 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.14 40.27 8.07 Favored Glycine 0 CA--C 1.572 3.616 0 O-C-N 121.236 -0.915 . . . . 0.0 115.134 154.437 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -141.92 136.55 30.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.248 -1.148 . . . . 0.0 113.927 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.734 HG23 ' HB2' ' B' ' 62' ' ' GLU . 74.3 mt -110.43 139.18 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.229 -0.919 . . . . 0.0 110.307 -169.524 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -115.68 177.39 4.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.903 -1.123 . . . . 0.0 112.804 167.698 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.414 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -59.48 -37.2 77.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.848 -1.158 . . . . 0.0 112.196 -161.9 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.57 -78.9 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.688 0 O-C-N 120.849 -1.157 . . . . 0.0 113.746 164.659 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.734 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.2 mt-10 -35.05 -31.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 171.52 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.687 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 38.1 t80 -62.05 -54.02 47.29 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.49 -1.382 . . . . 0.0 111.978 172.552 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.932 HD23 HD12 ' A' ' 7' ' ' LEU . 62.6 mt -59.13 -28.1 66.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 111.773 -177.115 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -88.33 -41.59 12.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.174 -0.954 . . . . 0.0 109.362 -178.8 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.3 ttp -50.61 -41.31 54.73 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 170.119 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.5 tpt -79.83 -60.83 2.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.919 . . . . 0.0 110.555 175.469 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -159.476 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 4.7 pt-20 . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 121.224 0.535 . . . . 0.0 111.87 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.89 -17.92 56.77 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.361 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.62 -19.54 18.23 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 178.023 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 1.1 mt -73.09 -17.31 61.42 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.985 0.914 . . . . 0.0 111.754 155.312 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.09 -34.69 22.17 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 170.386 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -70.41 -31.81 69.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.214 -0.929 . . . . 0.0 113.291 163.596 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.99 -41.7 74.05 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.543 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.716 ' HE1' HG13 ' A' ' 22' ' ' ILE . 5.9 t80 -70.81 -37.85 73.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.303 -0.873 . . . . 0.0 112.06 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 112.881 164.561 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -64.34 -31.24 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 123.952 0.901 . . . . 0.0 110.343 -171.461 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 30' ' ' ILE . 3.1 m-30 -70.74 -35.82 72.85 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.395 173.102 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -78.31 102.33 7.63 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.212 -0.93 . . . . 0.0 112.849 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 21.85 6.11 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.153 -0.967 . . . . 0.0 109.784 -168.02 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -139.26 -27.45 0.8 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 168.338 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 81.63 54.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 156.524 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.16 11.47 31.26 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.423 1.089 . . . . 0.0 112.715 158.93 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.31 71.43 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.071 -1.018 . . . . 0.0 115.15 175.287 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.54 169.43 10.68 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.258 -1.142 . . . . 0.0 111.719 178.081 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' HE1' ' A' ' 11' ' ' PHE . 8.0 mt -113.22 160.61 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.193 -0.942 . . . . 0.0 110.233 163.887 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.27 167.41 10.21 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.12 -0.987 . . . . 0.0 112.679 167.161 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.646 HD12 ' SD ' ' B' ' 47' ' ' MET . 3.3 tt -62.19 -30.56 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.097 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -74.14 -33.92 63.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.648 ' O ' HD13 ' A' ' 30' ' ' ILE . 62.6 mt-10 -70.78 -36.64 73.15 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 170.733 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -43.34 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.904 . . . . 0.0 111.903 -179.656 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.23 -43.51 4.64 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.177 -0.952 . . . . 0.0 115.134 -172.964 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -27.9 48.68 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.245 -1.15 . . . . 0.0 113.925 -173.349 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -53.58 -60.46 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.244 -0.91 . . . . 0.0 110.174 156.594 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -54.66 -31.98 58.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.146 -0.971 . . . . 0.0 111.367 -173.523 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -54.41 6.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.819 . . . . 0.0 110.774 -176.83 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -169.231 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.66 -19.03 64.57 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.57 -42.21 15.69 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 112.64 178.372 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.04 -26.75 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.265 -0.897 . . . . 0.0 110.278 167.352 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -31.82 36.57 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 173.247 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.36 -41.95 99.01 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.244 -0.91 . . . . 0.0 112.666 169.595 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -76.68 -43.86 36.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.242 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.646 ' SD ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -86.56 13.71 8.04 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 112.224 178.36 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -28.55 7.68 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.219 -0.926 . . . . 0.0 110.113 163.697 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.34 -38.54 85.02 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.859 -1.151 . . . . 0.0 112.474 165.024 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.9 t -101.82 -28.53 12.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.24 -0.913 . . . . 0.0 112.837 -168.546 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.12 99.71 0.1 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.265 -0.897 . . . . 0.0 112.719 178.64 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -60.28 -75.18 0.06 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.238 -0.914 . . . . 0.0 109.987 169.548 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -68.96 -3.8 14.24 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.25 -0.906 . . . . 0.0 113.308 -156.254 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.9 m120 50.52 25.82 2.14 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.082 -1.011 . . . . 0.0 113.289 177.619 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.23 -17.71 23.35 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.257 -0.902 . . . . 0.0 112.812 163.14 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.34 19.82 17.42 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 120.889 -1.132 . . . . 0.0 115.225 170.16 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.6 147.93 28.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.16 -1.2 . . . . 0.0 113.849 -168.464 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.722 HG23 ' HB2' ' B' ' 62' ' ' GLU . 61.0 mt -108.36 155.83 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.162 -0.961 . . . . 0.0 110.154 -160.103 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -131.28 -173.2 3.04 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.186 0.994 . . . . 0.0 112.783 165.164 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.546 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 3.9 t80 -64.55 -40.31 95.34 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.797 -1.189 . . . . 0.0 112.116 -156.094 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -76.82 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.689 0 O-C-N 120.852 -1.155 . . . . 0.0 113.551 166.079 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.722 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.3 OUTLIER -29.13 -49.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 169.24 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -53.45 -45.57 69.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.447 -0.783 . . . . 0.0 112.194 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.74 -35.1 78.68 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.219 -0.925 . . . . 0.0 111.784 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -88.98 -40.94 12.67 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.158 -0.963 . . . . 0.0 109.35 -171.577 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -17.82 41.73 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 168.817 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -77.1 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.191 -0.943 . . . . 0.0 110.559 171.119 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -174.828 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.6 pt-20 . . . . . 0 N--CA 1.498 1.925 0 CA-C-O 121.232 0.539 . . . . 0.0 111.824 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.775 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.5 tt0 -54.02 -30.3 47.05 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -165.764 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -86.14 -56.02 3.65 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -172.264 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.415 HD22 HD23 ' B' ' 64' ' ' LEU . 2.9 mp -52.1 -13.96 0.37 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.23 -0.919 . . . . 0.0 111.769 158.096 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -76.49 -50.17 14.68 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 168.887 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.77 -43.85 94.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 113.203 168.223 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -36.43 84.06 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 176.581 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.781 ' HE1' HG13 ' A' ' 22' ' ' ILE . 4.9 t80 -72.78 -34.6 67.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.289 -0.882 . . . . 0.0 112.181 177.364 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -62.03 -44.98 95.54 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.209 -0.932 . . . . 0.0 112.94 161.196 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -79.3 -33.01 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 C-N-CA 124.41 1.084 . . . . 0.0 110.181 -163.701 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CD2' ' HE1' ' B' ' 63' ' ' PHE . 6.9 m-30 -55.43 -39.89 70.84 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.271 -0.893 . . . . 0.0 110.41 166.766 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -78.47 138.6 38.53 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.179 -0.951 . . . . 0.0 112.807 -168.124 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.71 ' HG2' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.05 -63.95 0.95 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.088 -1.007 . . . . 0.0 109.26 165.775 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.71 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 48.5 t-20 -90.31 -36.93 14.39 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -156.914 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 73.33 36.72 0.79 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 170.315 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.02 4.49 8.27 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.285 -0.884 . . . . 0.0 112.957 155.495 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.83 -4.99 57.94 Favored Glycine 0 CA--C 1.57 3.514 0 O-C-N 120.721 -1.237 . . . . 0.0 115.359 167.683 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -118.13 152.41 35.67 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.087 -1.243 . . . . 0.0 111.757 -175.645 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.781 HG13 ' HE1' ' A' ' 11' ' ' PHE . 5.6 mt -104.09 133.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.074 -1.016 . . . . 0.0 110.28 165.904 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -102.23 168.83 9.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.149 -0.969 . . . . 0.0 112.79 178.394 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -66.03 -25.15 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.283 -0.886 . . . . 0.0 110.364 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.21 -40.19 90.17 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.856 -1.153 . . . . 0.0 113.645 169.547 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -43.53 76.72 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 177.447 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -47.44 -70.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.48 1.112 . . . . 0.0 111.954 -175.872 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.691 ' HA2' HD12 ' A' ' 31' ' ' LEU . . . -27.79 -52.82 0.1 OUTLIER Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.098 -1.001 . . . . 0.0 115.152 163.184 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -73.08 -30.29 63.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.286 -1.126 . . . . 0.0 113.868 -172.628 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -60.76 -61.3 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.224 -0.923 . . . . 0.0 110.254 165.705 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.691 HD12 ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.46 -31.39 23.11 Favored 'General case' 0 CA--C 1.575 1.913 0 O-C-N 121.206 -0.934 . . . . 0.0 111.317 -178.683 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -101.35 -32.63 10.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.4 -0.813 . . . . 0.0 110.84 -165.23 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.394 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.99 -31.69 71.58 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -179.242 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.59 -42.96 93.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.951 . . . . 0.0 112.659 163.642 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.53 -39.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.148 -0.97 . . . . 0.0 110.26 174.759 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.2 77.39 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.502 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -70.08 -47.71 60.77 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 123.873 0.869 . . . . 0.0 112.7 175.039 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -58.55 -44.07 89.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.549 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -68.89 -36.58 78.24 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.188 -0.945 . . . . 0.0 112.091 179.376 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -31.45 72.08 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.111 0.964 . . . . 0.0 110.245 172.447 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -60.7 -70.68 0.16 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.477 -0.764 . . . . 0.0 112.371 172.996 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -59.16 -31.3 68.85 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.185 -0.947 . . . . 0.0 112.71 -176.683 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -75.61 142.95 42.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.185 -0.947 . . . . 0.0 112.675 -173.117 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -160.5 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.217 -0.927 . . . . 0.0 109.91 154.858 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.91 -56.58 4.61 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.171 -0.956 . . . . 0.0 113.107 -170.138 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.22 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 157.449 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -34.35 -34.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.629 1.172 . . . . 0.0 112.8 166.79 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.15 -66.44 0.08 OUTLIER Glycine 0 CA--C 1.57 3.494 0 O-C-N 121.013 -1.054 . . . . 0.0 115.369 167.511 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 mtm-85 -93.21 167.59 11.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.069 -1.253 . . . . 0.0 114.163 -154.198 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.962 HG23 ' HB2' ' B' ' 62' ' ' GLU . 21.4 mt -109.05 138.72 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 C-N-CA 124.013 0.925 . . . . 0.0 110.311 -169.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -130.08 179.64 5.76 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.033 -1.042 . . . . 0.0 112.884 174.543 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.54 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -55.8 -39.9 71.97 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.702 -1.249 . . . . 0.0 112.208 -154.506 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.71 -76.73 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.717 -1.239 . . . . 0.0 113.584 163.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.962 ' HB2' HG23 ' B' ' 58' ' ' ILE . 2.9 mm-40 -32.36 -47.42 0.15 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 169.069 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.404 ' HE1' ' CD2' ' A' ' 14' ' ' PHE . 63.7 t80 -54.21 -43.03 70.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.087 -1.008 . . . . 0.0 112.199 179.539 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.415 HD23 HD22 ' A' ' 7' ' ' LEU . 32.8 mt -66.08 -41.21 91.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.235 -0.916 . . . . 0.0 111.772 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -75.89 -39.4 56.48 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.209 -0.932 . . . . 0.0 109.312 -176.198 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 33.4 ttp -68.08 -22.9 64.89 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 174.138 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 6.0 tpt -74.56 -38.3 62.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.187 -0.946 . . . . 0.0 110.545 171.468 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 . . . . . 0 N--CA 1.497 1.903 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.096 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 121.099 0.476 . . . . 0.0 111.933 . . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.71 -57.55 10.41 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 167.255 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.67 -33.75 68.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -175.096 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.671 HD12 ' CD2' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -74.15 -28.05 61.13 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.213 1.005 . . . . 0.0 111.746 171.921 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.03 17.18 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 168.626 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -45.21 -49.09 12.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.278 -0.888 . . . . 0.0 113.24 164.554 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.24 79.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 175.215 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.742 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 79.4 t80 -69.95 -44.02 70.39 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.296 -0.877 . . . . 0.0 112.185 -178.932 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -56.85 -51.3 69.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.189 -0.944 . . . . 0.0 112.885 164.041 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.69 -29.27 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 C-N-CA 123.819 0.848 . . . . 0.0 110.327 -169.48 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.73 -53.62 12.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.299 -0.876 . . . . 0.0 110.408 177.609 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.28 124.36 24.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.185 -0.947 . . . . 0.0 112.76 -165.031 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -61.41 -43.68 98.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.04 -1.037 . . . . 0.0 109.173 -164.553 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.16 -42.52 6.67 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -173.173 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.4 66.04 0.08 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 156.898 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -11.9 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.015 0.926 . . . . 0.0 112.891 154.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.41 27.7 1.43 Allowed Glycine 0 CA--C 1.571 3.564 0 O-C-N 120.723 -1.236 . . . . 0.0 115.07 166.456 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -116.45 164.06 15.13 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -1.089 . . . . 0.0 111.643 166.673 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.907 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.3 mt -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.029 -1.044 . . . . 0.0 110.236 156.348 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.18 167.69 9.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.044 -1.035 . . . . 0.0 112.717 175.73 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -72.68 -9.67 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 123.885 0.874 . . . . 0.0 110.483 176.75 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -41.12 23.14 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.519 -1.363 . . . . 0.0 113.564 170.061 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.907 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -72.92 -43.59 62.21 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.79 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 tt -68.11 -44.01 77.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.224 -0.923 . . . . 0.0 111.877 -161.813 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.96 -54.72 17.39 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.2 -0.938 . . . . 0.0 115.168 166.608 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -51.75 -41.63 61.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.303 -1.116 . . . . 0.0 113.87 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -60.57 -63.67 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.253 -0.904 . . . . 0.0 110.217 173.484 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.2 -5.86 0.54 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.131 -0.981 . . . . 0.0 111.608 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -75.9 0.58 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.202 -0.936 . . . . 0.0 110.792 165.372 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -160.096 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.09 -27.49 65.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -171.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -72.65 -46.46 53.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.228 -0.92 . . . . 0.0 112.699 171.931 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mm -61.56 -32.3 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.203 -0.936 . . . . 0.0 110.219 174.274 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -38.2 86.62 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.793 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.26 -29.39 68.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.359 -0.838 . . . . 0.0 112.665 170.559 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.0 -51.88 49.54 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 172.059 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.464 ' HG2' HG12 ' A' ' 24' ' ' ILE . 12.8 tpt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.895 -1.128 . . . . 0.0 112.024 -175.95 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -83.15 -31.26 27.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.271 -0.893 . . . . 0.0 109.932 -177.598 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.27 -41.89 84.77 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.23 -0.919 . . . . 0.0 112.483 171.284 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.7 m -62.95 -32.19 73.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.255 -0.903 . . . . 0.0 112.893 167.641 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -69.01 151.25 46.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.248 -0.908 . . . . 0.0 112.647 -177.916 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.7 -84.22 0.66 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.958 -1.089 . . . . 0.0 110.26 175.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -78.71 18.56 0.58 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.486 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.5 m120 72.18 36.5 1.09 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.808 1.243 . . . . 0.0 113.162 169.639 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.11 74.58 1.75 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.159 0.984 . . . . 0.0 112.706 154.367 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -39.15 -22.43 0.02 OUTLIER Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.142 -0.974 . . . . 0.0 115.138 167.593 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -125.72 151.38 46.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.217 -1.166 . . . . 0.0 113.949 175.755 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.951 HG23 ' HB2' ' B' ' 62' ' ' GLU . 56.6 mt -112.41 148.0 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.223 -0.923 . . . . 0.0 110.518 -167.246 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -121.12 -169.11 1.78 Allowed 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 124.225 1.01 . . . . 0.0 112.794 171.608 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.86 -42.24 97.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.841 -1.162 . . . . 0.0 112.237 -173.409 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.74 -78.49 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.704 0 O-C-N 120.738 -1.226 . . . . 0.0 113.623 167.287 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.951 ' HB2' HG23 ' B' ' 58' ' ' ILE . 3.8 mm-40 -33.25 -40.84 0.07 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 171.479 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.742 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 2.3 t80 -57.19 -50.76 71.85 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.818 -1.177 . . . . 0.0 112.067 176.653 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.671 ' CD2' HD12 ' A' ' 7' ' ' LEU . 58.6 mt -65.1 -22.89 67.01 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.293 -0.879 . . . . 0.0 111.755 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -87.36 -40.09 14.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.109 -0.994 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -21.67 28.5 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 167.243 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.18 -82.47 0.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.196 -0.94 . . . . 0.0 110.553 162.23 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.495 1.818 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -165.521 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.5 mt-10 . . . . . 0 N--CA 1.498 1.929 0 CA-C-O 121.172 0.51 . . . . 0.0 111.848 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.6 tt0 -50.39 -46.25 56.01 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.113 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.21 -30.75 15.04 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -168.86 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -72.18 -15.66 61.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.162 -0.961 . . . . 0.0 111.755 162.581 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -72.25 -59.66 2.62 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.192 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -40.28 -57.06 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.95 0.9 . . . . 0.0 113.238 161.225 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.1 76.45 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.324 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.785 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 16.2 t80 -76.31 -30.02 57.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.276 -0.89 . . . . 0.0 112.131 -172.519 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -83.32 -31.24 26.94 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.171 -0.956 . . . . 0.0 112.922 176.647 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.99 -36.59 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.257 1.023 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -61.57 -42.44 98.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.386 -0.821 . . . . 0.0 110.394 173.175 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -73.07 127.85 33.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.2 -0.938 . . . . 0.0 112.824 -173.172 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.4 -44.82 34.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.113 -0.992 . . . . 0.0 109.333 178.854 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.78 -23.06 15.11 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -162.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.44 44.05 7.48 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 163.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -78.94 -19.67 51.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.236 -0.915 . . . . 0.0 112.717 154.702 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.17 -22.54 3.98 Favored Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.534 0.974 . . . . 0.0 115.534 -177.016 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -114.7 162.12 17.24 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -1.195 . . . . 0.0 111.694 -156.464 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.62 ' CD1' ' HE1' ' A' ' 11' ' ' PHE . 64.1 mt -109.95 143.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 124.078 0.951 . . . . 0.0 110.263 168.713 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -102.46 157.89 16.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.107 -0.996 . . . . 0.0 112.664 175.036 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.466 HD13 ' CG ' ' B' ' 47' ' ' MET . 0.3 OUTLIER -52.01 -30.46 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.434 -0.792 . . . . 0.0 110.08 177.638 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.17 -30.88 43.71 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -174.52 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -73.46 -27.53 61.46 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.376 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD21 HD12 ' B' ' 43' ' ' ILE . 9.7 tt -42.85 -61.97 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.347 -0.846 . . . . 0.0 111.942 177.804 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.16 -30.65 77.25 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.04 -1.037 . . . . 0.0 115.082 -170.012 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.2 -30.69 49.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.267 -1.137 . . . . 0.0 113.895 171.403 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.03 -58.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.252 -0.905 . . . . 0.0 110.215 168.491 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -50.2 70.62 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.23 -0.919 . . . . 0.0 111.222 176.062 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -84.62 -41.75 16.06 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.236 -0.915 . . . . 0.0 110.851 -159.903 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -156.297 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.497 1.887 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -66.51 -36.19 82.11 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -167.388 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.16 -49.33 78.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.204 -0.935 . . . . 0.0 112.656 167.204 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 27' ' ' LEU . 4.0 mm -64.28 -34.25 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 179.391 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -39.94 91.92 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 174.78 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -63.3 -35.36 80.09 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.335 -0.853 . . . . 0.0 112.641 169.528 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.55 -53.76 14.8 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.162 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.517 ' HE1' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -96.78 14.99 23.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.852 -1.155 . . . . 0.0 112.107 -174.037 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -112.14 -30.09 7.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 163.315 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -67.45 -63.73 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.867 -1.146 . . . . 0.0 112.459 166.135 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 58.1 m -67.34 -29.47 69.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.121 -0.987 . . . . 0.0 112.882 -178.2 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -82.67 72.34 9.74 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.153 -0.967 . . . . 0.0 112.709 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -67.15 0.56 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -167.562 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -77.32 9.02 3.46 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -159.43 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 59.37 51.11 6.97 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.036 -1.04 . . . . 0.0 113.303 -169.464 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 67.55 2.1 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.055 0.942 . . . . 0.0 112.668 154.513 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.66 -17.98 1.55 Allowed Glycine 0 CA--C 1.571 3.557 0 O-C-N 121.197 -0.939 . . . . 0.0 115.206 -168.062 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -104.35 138.99 39.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.113 -1.228 . . . . 0.0 113.849 171.512 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.636 HG23 ' CB ' ' B' ' 62' ' ' GLU . 69.8 mt -109.26 141.76 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.078 -1.014 . . . . 0.0 110.207 -160.69 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -110.06 -174.38 2.48 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.012 -1.055 . . . . 0.0 112.85 -178.665 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.785 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 61.7 t80 -65.0 -42.65 94.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.983 -1.073 . . . . 0.0 112.068 -172.221 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.95 -79.19 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.678 -1.264 . . . . 0.0 113.605 163.906 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.636 ' CB ' HG23 ' B' ' 58' ' ' ILE . 37.5 mt-10 -35.59 -34.19 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 172.6 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 1.9 t80 -58.69 -49.3 78.06 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.516 -1.365 . . . . 0.0 111.817 174.268 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.13 -28.15 68.9 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 123.836 0.854 . . . . 0.0 111.866 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.68 -37.7 24.45 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.063 -1.023 . . . . 0.0 109.32 174.127 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -59.73 -66.69 0.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 174.728 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 tpt -48.65 -67.94 0.23 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 110.578 168.698 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -162.798 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 . . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -52.12 4.0 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -169.383 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -83.5 -21.86 32.68 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -168.421 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.647 HD12 HD23 ' B' ' 64' ' ' LEU . 0.7 OUTLIER -85.58 -21.38 28.53 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.383 1.073 . . . . 0.0 111.788 172.548 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.835 ' HB2' ' CE2' ' B' ' 60' ' ' PHE . . . -78.63 -52.73 8.03 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 167.355 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -39.33 -49.21 1.96 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.223 -0.923 . . . . 0.0 113.181 161.368 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.93 82.49 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 171.918 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.919 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 29.5 t80 -75.3 -26.98 59.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.0 112.028 -174.15 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -6.32 39.29 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 123.928 0.891 . . . . 0.0 113.049 172.847 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -79.73 -31.77 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 C-N-CA 124.26 1.024 . . . . 0.0 110.203 167.222 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.796 ' HD2' HD13 ' A' ' 30' ' ' ILE . 2.8 m-30 -62.59 -70.68 0.19 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.999 0.92 . . . . 0.0 110.491 170.238 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -62.44 118.57 7.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.148 -0.97 . . . . 0.0 112.782 -165.253 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HG3' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.79 -32.84 60.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.013 -1.054 . . . . 0.0 109.185 -169.184 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -107.81 -32.79 7.47 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -167.907 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 68.14 47.19 1.05 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.18 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.85 6.52 4.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.214 -0.929 . . . . 0.0 112.852 154.422 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.449 ' O ' ' HE1' ' A' ' 11' ' ' PHE . . . 98.42 -8.7 62.45 Favored Glycine 0 CA--C 1.571 3.543 0 O-C-N 120.565 -1.335 . . . . 0.0 115.304 162.639 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.779 ' HD2' ' HD3' ' B' ' 57' ' ' ARG . 6.8 m-30 -122.68 170.08 10.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -1.214 . . . . 0.0 111.752 -173.681 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.919 HD13 ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -109.02 151.9 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 124.46 1.104 . . . . 0.0 110.254 163.397 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.28 166.03 18.55 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.013 -1.054 . . . . 0.0 112.715 -175.818 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 tt -68.13 -29.64 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.211 -0.931 . . . . 0.0 110.177 -175.532 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -76.8 -30.8 56.6 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.463 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.567 ' OE2' ' HG3' ' A' ' 16' ' ' LYS . 93.5 mt-10 -78.2 -29.22 48.29 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.874 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -53.46 -55.45 25.17 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.305 1.042 . . . . 0.0 111.974 -169.022 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.62 -48.06 17.51 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.141 -0.974 . . . . 0.0 115.135 174.042 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.48 -19.42 55.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.232 -1.158 . . . . 0.0 113.879 179.151 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.796 HD13 ' HD2' ' A' ' 14' ' ' PHE . 16.4 mt -60.96 -49.04 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 166.657 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.96 -41.52 71.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.169 -0.957 . . . . 0.0 111.339 168.606 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 8.1 ptm180 -127.55 41.23 3.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.407 -0.808 . . . . 0.0 110.798 -170.738 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.889 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 169.934 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.62 -28.81 68.05 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -168.506 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.55 -46.93 87.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.215 -0.928 . . . . 0.0 112.68 164.994 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -58.97 -53.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.265 -0.897 . . . . 0.0 110.166 -176.009 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.37 70.37 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.341 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -57.58 -35.48 70.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 162.937 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -76.52 -50.69 13.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 47' ' ' MET . . . . . 0.405 ' CE ' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -59.56 -28.48 67.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.88 -1.138 . . . . 0.0 112.075 173.651 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -92.15 -9.96 40.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.352 -0.842 . . . . 0.0 110.606 178.273 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.05 -51.58 52.9 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.199 -1.563 . . . . 0.0 112.409 157.931 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.9 m -100.56 -27.04 13.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.114 -0.992 . . . . 0.0 112.898 -157.246 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -58.27 120.61 9.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.259 -0.9 . . . . 0.0 112.706 166.152 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.04 -1.038 . . . . 0.0 109.939 165.086 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -64.46 -7.38 9.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.148 -0.97 . . . . 0.0 113.248 -163.31 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.79 41.79 24.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.241 -0.912 . . . . 0.0 113.276 164.123 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -89.5 -22.53 22.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.284 -0.885 . . . . 0.0 112.723 159.59 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.75 39.41 4.96 Favored Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.064 -1.022 . . . . 0.0 115.111 169.97 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.779 ' HD3' ' HD2' ' A' ' 21' ' ' TYR . 13.4 ttm-85 -130.55 129.77 43.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.269 -1.136 . . . . 0.0 113.77 164.012 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' B' ' 62' ' ' GLU . 67.0 mt -100.25 122.6 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.215 1.006 . . . . 0.0 110.157 -173.695 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.32 174.44 5.91 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.932 -1.105 . . . . 0.0 112.749 171.775 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.835 ' CE2' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -52.32 -33.33 42.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.923 -1.11 . . . . 0.0 112.132 -166.513 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.02 -83.96 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.812 2.244 . . . . 0.0 111.433 171.464 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.879 ' HB2' HG23 ' B' ' 58' ' ' ILE . 14.3 mm-40 -23.81 -40.17 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.7 165.733 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.707 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 14.2 t80 -61.03 -50.57 72.78 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.495 -0.753 . . . . 0.0 111.782 177.884 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.647 HD23 HD12 ' A' ' 7' ' ' LEU . 17.0 mt -57.63 -29.86 64.9 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 124.403 1.081 . . . . 0.0 111.904 175.853 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -47.54 13.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.079 -1.013 . . . . 0.0 109.392 -178.31 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.526 ' O ' ' HG2' ' B' ' 66' ' ' MET . 3.1 tmm? -75.53 -4.7 41.36 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -179.79 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.19 -41.0 5.46 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.217 -0.927 . . . . 0.0 110.557 168.525 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -162.163 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 121.169 0.509 . . . . 0.0 111.847 . . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -36.06 -63.66 0.36 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 170.904 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -72.26 -32.85 67.02 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.777 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' B' ' 64' ' ' LEU . 5.7 mp -73.23 -19.92 60.97 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.137 0.975 . . . . 0.0 111.773 171.129 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.53 ' CA ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.6 -44.12 17.69 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 174.164 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -61.99 -39.71 93.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.12 -0.988 . . . . 0.0 113.225 164.385 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.71 74.78 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.456 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.571 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 45.5 t80 -74.45 -28.29 60.97 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.045 -1.034 . . . . 0.0 112.041 -170.477 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.2 ptt180 -73.23 -40.77 64.41 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 124.018 0.927 . . . . 0.0 112.981 165.782 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 mm -64.25 -37.27 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -173.297 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -57.35 -62.47 1.75 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 110.367 172.132 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -75.33 138.02 41.51 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.174 -0.954 . . . . 0.0 112.851 -160.392 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -80.58 0.08 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.152 -0.968 . . . . 0.0 109.367 -174.436 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -75.12 -35.15 61.73 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -162.538 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.82 57.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 154.355 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -87.51 20.07 3.06 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.929 0.891 . . . . 0.0 112.736 154.549 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.87 -5.56 58.16 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.095 -1.003 . . . . 0.0 115.37 163.194 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -117.49 153.42 33.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.12 -1.224 . . . . 0.0 111.694 -169.138 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 mt -114.09 113.03 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.151 -0.968 . . . . 0.0 110.259 174.543 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -103.28 170.61 7.85 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.958 -1.089 . . . . 0.0 112.726 -160.96 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -27.57 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.241 -0.912 . . . . 0.0 110.193 -178.58 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.92 -38.13 46.21 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.96 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.75 ' O ' HD13 ' A' ' 30' ' ' ILE . 15.1 mt-10 -80.78 -27.36 36.71 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -177.225 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.947 HD23 HG23 ' B' ' 43' ' ' ILE . 12.0 tp -48.63 -60.67 2.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.287 -0.883 . . . . 0.0 111.929 177.771 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -24.55 60.08 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 121.141 -0.974 . . . . 0.0 115.096 174.843 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -66.24 -46.27 77.73 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.262 -1.14 . . . . 0.0 113.872 164.109 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.85 -54.38 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 177.747 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' A' ' 32' ' ' ARG . 3.2 pp -70.05 -33.16 71.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.142 -0.974 . . . . 0.0 111.757 175.796 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.755 ' HB2' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -123.68 47.98 1.94 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.149 -0.97 . . . . 0.0 110.781 -176.668 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 161.637 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' B' ' 44' ' ' GLU . 11.5 mt-10 -66.07 -19.56 65.89 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.948 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -88.57 -36.35 16.39 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.249 -0.907 . . . . 0.0 112.666 171.989 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.947 HG23 HD23 ' A' ' 27' ' ' LEU . 1.8 mp -59.52 -34.99 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.125 -0.984 . . . . 0.0 110.166 161.788 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 41' ' ' GLU . 0.3 OUTLIER -69.91 -33.44 72.18 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.54 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -62.89 -53.82 48.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.164 -0.96 . . . . 0.0 112.639 170.486 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tp -52.05 -53.29 43.88 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.111 -0.993 . . . . 0.0 113.677 174.336 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -1.69 54.6 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.706 -1.246 . . . . 0.0 112.144 -161.241 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -102.93 -18.41 15.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.176 -0.953 . . . . 0.0 110.475 164.531 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.99 -79.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.461 -1.4 . . . . 0.0 112.42 158.142 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -61.51 -20.46 63.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.146 -0.971 . . . . 0.0 112.849 -170.837 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -69.63 131.21 44.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.247 -0.908 . . . . 0.0 112.64 162.162 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -74.18 0.66 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.936 176.752 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -76.31 1.56 15.8 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.985 -1.072 . . . . 0.0 113.57 -171.212 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 m120 61.07 41.0 14.38 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.983 -1.073 . . . . 0.0 113.266 -179.224 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.67 63.9 8.22 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.259 -0.9 . . . . 0.0 112.691 154.551 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.42 -32.86 2.88 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.295 -0.878 . . . . 0.0 115.237 -162.216 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.14 123.17 28.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.205 -1.174 . . . . 0.0 113.881 -177.348 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 58' ' ' ILE . . . . . 0.892 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.9 mt -99.91 134.15 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.1 -1.0 . . . . 0.0 110.148 -159.686 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -104.87 -169.61 1.64 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.114 -0.992 . . . . 0.0 112.79 167.844 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.53 ' HE2' ' CA ' ' A' ' 8' ' ' ALA . 6.2 t80 -71.24 -37.67 71.99 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.877 -1.139 . . . . 0.0 112.233 -166.326 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.725 -1.235 . . . . 0.0 113.741 164.808 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.892 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.7 mm-40 -35.05 -39.04 0.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 167.714 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 63' ' ' PHE . . . . . 0.571 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 27.4 t80 -59.07 -41.59 88.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.697 -1.252 . . . . 0.0 111.996 177.463 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.726 ' CD2' HD22 ' A' ' 7' ' ' LEU . 44.9 mt -70.2 -31.91 69.58 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.928 0.891 . . . . 0.0 111.755 178.885 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -87.7 -12.32 45.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.134 -0.979 . . . . 0.0 109.362 177.294 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 66' ' ' MET . . . . . 0.782 ' HE2' HD13 ' B' ' 58' ' ' ILE . 2.1 ttp -86.89 -62.45 1.5 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 172.479 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.6 ttm -39.2 -33.36 0.13 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.232 -0.917 . . . . 0.0 110.538 161.432 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 170.077 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -96.68 37.77 1.26 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.523 -0.736 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -103.62 -108.68 0.26 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.958 0.903 . . . . 0.0 112.522 -165.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.256 0.0 OUTLIER -128.92 15.19 6.35 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.231 -0.918 . . . . 0.0 111.971 -163.359 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.8 tt0 -73.98 -45.29 51.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.971 -1.081 . . . . 0.0 113.848 -154.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.48 -30.91 17.94 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -176.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.79 -25.58 67.31 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.028 0.931 . . . . 0.0 111.762 159.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -64.19 -71.36 0.18 Allowed 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 166.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -44.75 -37.23 3.63 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.266 -0.896 . . . . 0.0 113.281 171.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.77 83.27 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.753 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 88.4 t80 -72.09 -29.48 64.15 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.804 0.842 . . . . 0.0 112.084 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -79.93 -35.82 37.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.172 -0.955 . . . . 0.0 112.974 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -61.84 -35.88 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 110.298 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.52 -42.55 74.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.24 -0.913 . . . . 0.0 110.427 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -71.65 135.0 46.72 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.262 -0.899 . . . . 0.0 112.805 -164.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -68.96 -76.47 0.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.936 . . . . 0.0 109.302 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 4.4 m-80 -104.86 -20.87 13.44 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -170.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 81.59 54.26 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 157.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -73.64 -20.96 60.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.274 -0.891 . . . . 0.0 112.731 155.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.47 -5.52 5.91 Favored Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.143 -0.973 . . . . 0.0 115.401 165.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -114.24 164.85 13.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.177 -1.19 . . . . 0.0 111.704 -168.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.83 139.14 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 C-N-CA 123.902 0.881 . . . . 0.0 110.19 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -117.81 162.08 18.67 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.119 0.968 . . . . 0.0 112.684 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -25.76 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -75.35 -36.27 61.03 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.979 -1.076 . . . . 0.0 113.783 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.529 ' O ' HD12 ' A' ' 30' ' ' ILE . 88.2 mt-10 -67.85 -33.24 74.37 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 171.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -69.97 -45.29 67.68 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.164 -0.96 . . . . 0.0 111.833 -158.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.15 21.09 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.144 -0.972 . . . . 0.0 115.128 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.42 -30.18 70.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.304 -1.115 . . . . 0.0 113.884 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 26' ' ' GLU . 4.3 mp -58.53 -54.66 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.226 -0.921 . . . . 0.0 110.237 162.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.672 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -73.72 6.96 2.76 Favored 'General case' 0 CA--C 1.574 1.882 0 O-C-N 121.146 -0.972 . . . . 0.0 111.719 -177.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -71.81 0.47 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.98 -1.075 . . . . 0.0 111.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 34' ' ' THR . . . -44.32 132.33 5.93 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -154.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 33' ' ' ALA . 24.9 p -154.25 103.42 2.53 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 124.198 0.999 . . . . 0.0 109.782 172.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.78 -8.25 1.12 Allowed Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.27 -0.894 . . . . 0.0 115.075 160.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.419 0 O-C-N 121.176 -1.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.372 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.5 p -83.21 92.68 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.12 -179.59 7.04 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.205 -0.934 . . . . 0.0 109.715 -168.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.86 -9.56 58.82 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -164.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -68.45 -39.81 81.33 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.9 -51.4 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.243 -0.911 . . . . 0.0 112.675 166.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.07 -41.51 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.101 -0.999 . . . . 0.0 110.163 170.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -35.69 81.63 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.3 -27.44 60.71 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.039 0.936 . . . . 0.0 112.672 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -43.18 32.45 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.6 ' HE1' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -62.87 -28.08 69.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.105 -0.997 . . . . 0.0 112.102 167.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -88.4 -29.97 19.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.275 -0.891 . . . . 0.0 110.011 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -67.14 -55.86 12.41 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.133 -0.979 . . . . 0.0 112.455 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -26.82 60.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -0.964 . . . . 0.0 112.894 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.11 163.11 26.91 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.201 -0.937 . . . . 0.0 112.675 164.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.17 -60.5 0.53 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.143 -0.973 . . . . 0.0 109.86 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -71.46 -4.6 27.42 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 62.7 43.75 7.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.967 -1.083 . . . . 0.0 113.27 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.73 67.75 2.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.225 -0.922 . . . . 0.0 112.581 154.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.59 -6.0 0.1 OUTLIER Glycine 0 CA--C 1.572 3.618 0 N-CA-C 115.633 1.013 . . . . 0.0 115.633 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 141.31 48.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 114.008 155.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.92 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.1 mt -109.66 135.97 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 C-N-CA 123.979 0.911 . . . . 0.0 110.326 -167.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -105.18 176.24 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.903 -1.123 . . . . 0.0 112.882 165.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.566 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -63.57 -24.61 67.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.689 -1.257 . . . . 0.0 112.138 -168.383 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -83.13 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.149 0 CA-C-O 124.998 2.332 . . . . 0.0 111.3 163.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.92 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.3 mm-40 -25.23 -39.8 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 113.649 -1.614 . . . . 0.0 113.735 165.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.753 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 60.0 t80 -61.03 -49.39 77.59 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.3 -0.875 . . . . 0.0 111.808 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.97 -32.58 66.2 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.407 1.083 . . . . 0.0 111.947 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -97.72 -37.98 9.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 109.692 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.8 ttp -56.78 -28.69 61.7 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 167.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -75.93 -70.33 0.44 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.119 0.968 . . . . 0.0 110.597 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -134.52 54.03 1.96 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.17 25.32 22.79 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.195 -0.94 . . . . 0.0 115.123 158.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.88 133.1 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.296 -1.12 . . . . 0.0 108.542 158.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.35 106.46 0.45 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.205 -0.934 . . . . 0.0 111.96 -164.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.398 0 O-C-N 121.263 -0.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -77.53 138.32 39.12 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.554 -0.716 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -45.3 130.24 8.17 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.309 -0.869 . . . . 0.0 112.438 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.254 0.6 OUTLIER -91.63 6.85 44.19 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.265 -0.897 . . . . 0.0 112.39 164.534 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -45.14 75.03 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.396 -1.44 . . . . 0.0 113.845 -162.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.23 -47.65 27.13 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -27.92 68.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -0.883 . . . . 0.0 111.765 169.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -63.04 -63.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 171.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -39.25 -64.67 0.44 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.195 -0.941 . . . . 0.0 113.296 161.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.65 38.64 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.74 ' HE1' HG13 ' A' ' 22' ' ' ILE . 13.5 t80 -75.2 -39.49 60.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.236 -0.915 . . . . 0.0 112.105 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -76.46 -31.22 57.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.212 -0.93 . . . . 0.0 112.944 173.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mm -65.41 -41.38 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 123.998 0.919 . . . . 0.0 110.319 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -61.09 -61.52 2.51 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.37 90.23 0.15 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.252 -0.905 . . . . 0.0 112.779 174.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -26.97 68.4 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.142 -0.974 . . . . 0.0 109.202 -161.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.24 -46.5 10.29 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 79.04 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 157.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -23.86 30.11 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.239 -0.913 . . . . 0.0 112.769 159.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.81 -23.26 1.3 Allowed Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.0 -1.062 . . . . 0.0 115.413 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -117.15 155.36 29.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.985 -1.303 . . . . 0.0 111.672 -154.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.74 HG13 ' HE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -104.77 153.47 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.049 -1.032 . . . . 0.0 110.236 158.745 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -115.09 167.78 10.52 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.198 -0.939 . . . . 0.0 112.651 172.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -26.45 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.205 -0.935 . . . . 0.0 110.279 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -72.29 -33.22 67.26 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.989 -1.07 . . . . 0.0 113.74 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.37 -28.75 41.94 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.31 -44.29 83.82 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.162 -0.961 . . . . 0.0 111.873 -165.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.66 -39.21 30.06 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.098 -1.001 . . . . 0.0 115.08 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -64.24 -40.54 96.23 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.237 -1.155 . . . . 0.0 113.905 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mm -53.93 -66.74 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.22 -0.925 . . . . 0.0 110.235 165.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.18 -17.61 64.38 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.109 -0.995 . . . . 0.0 111.717 -164.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.748 ' HG3' HG21 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -104.44 -26.13 12.53 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.189 -0.944 . . . . 0.0 110.816 -175.138 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.61 131.68 39.02 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -142.51 -56.26 0.44 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.092 0.957 . . . . 0.0 109.811 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -123.61 -84.21 0.64 Allowed Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.179 -0.951 . . . . 0.0 115.147 -163.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.399 0 O-C-N 121.241 -1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.355 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.748 HG21 ' HG3' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -152.44 128.67 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.9 p -134.12 174.92 9.97 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.155 -0.966 . . . . 0.0 109.757 167.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -34.69 75.48 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 175.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -61.59 -32.06 72.15 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -75.61 -47.36 26.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.28 -0.888 . . . . 0.0 112.704 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -42.91 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.975 -1.078 . . . . 0.0 110.114 169.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.3 75.69 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.72 -51.52 69.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.277 -0.89 . . . . 0.0 112.684 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.49 ' C ' HD23 ' B' ' 46' ' ' LEU . 5.2 tt -50.47 -53.72 27.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.076 -1.015 . . . . 0.0 113.662 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 2.0 tpp -65.64 -53.77 36.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.795 -1.19 . . . . 0.0 112.057 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -33.83 71.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.228 -0.92 . . . . 0.0 110.037 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -67.37 -33.31 74.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.516 -0.74 . . . . 0.0 112.449 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.61 20.62 17.62 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.259 -0.901 . . . . 0.0 112.895 168.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -82.73 115.48 21.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.139 -0.976 . . . . 0.0 112.669 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -59.83 -141.77 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.113 -0.992 . . . . 0.0 109.93 156.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -71.29 -56.43 6.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.236 -0.915 . . . . 0.0 113.219 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 68.31 122.38 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 167.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.58 43.82 1.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.127 -0.983 . . . . 0.0 112.578 154.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.03 53.56 Favored Glycine 0 CA--C 1.572 3.615 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 157.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -144.98 153.31 41.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.129 -1.218 . . . . 0.0 114.083 -156.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.9 HG23 ' HB2' ' B' ' 62' ' ' GLU . 46.0 mt -109.82 137.44 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 C-N-CA 123.903 0.881 . . . . 0.0 110.3 -165.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -112.24 178.28 4.36 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.952 -1.092 . . . . 0.0 112.833 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.415 ' CD1' ' CD2' ' A' ' 11' ' ' PHE . 2.0 t80 -57.33 -34.4 68.71 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.115 -0.991 . . . . 0.0 112.017 -166.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -84.31 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.963 2.315 . . . . 0.0 111.436 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.9 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.5 mt-10 -25.03 -36.17 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.65 1.58 . . . . 0.0 113.875 167.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.644 ' HD2' ' CD1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -61.32 -57.96 10.2 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.236 -0.915 . . . . 0.0 111.889 173.14 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.67 -20.38 21.21 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.065 0.946 . . . . 0.0 111.796 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -55.78 4.14 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.18 -0.95 . . . . 0.0 109.497 171.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttm -45.23 -39.52 6.45 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 mmt -75.49 -98.39 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 110.589 162.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -75.51 2.3 11.98 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -163.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.05 111.45 2.25 Favored Glycine 0 CA--C 1.571 3.577 0 O-C-N 120.987 -1.071 . . . . 0.0 115.106 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -70.35 138.94 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.234 -1.157 . . . . 0.0 108.504 169.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -88.16 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.228 -0.92 . . . . 0.0 111.924 168.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.418 0 O-C-N 121.217 -0.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.354 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -68.04 126.82 30.71 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.804 0.842 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -164.65 -148.98 0.12 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.286 -0.884 . . . . 0.0 112.359 161.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 2.2 pt-20 -62.52 -7.25 4.3 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.218 -0.926 . . . . 0.0 112.418 165.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.665 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.7 tt0 -37.13 -54.33 1.0 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -176.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.93 -35.35 13.37 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -162.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.52 HD22 HD21 ' B' ' 64' ' ' LEU . 5.2 mp -66.78 -13.32 61.34 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.042 0.937 . . . . 0.0 111.789 157.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -79.56 -54.88 5.46 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 166.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -48.24 -46.97 36.17 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.318 -0.864 . . . . 0.0 113.247 164.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -64.35 -46.26 84.22 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 1.4 t80 -67.58 -35.53 79.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.0 112.169 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 -65.75 -36.71 84.33 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.16 -0.962 . . . . 0.0 112.919 167.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.37 -32.1 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.451 1.1 . . . . 0.0 110.23 -169.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.76 ' CE2' HG23 ' A' ' 30' ' ' ILE . 54.1 m-85 -60.67 -78.27 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 162.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.06 149.36 27.92 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.1 0.96 . . . . 0.0 112.816 -162.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 7.2 mmtp -64.92 -40.68 95.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.1 -1.0 . . . . 0.0 109.226 -165.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.0 t-20 -119.92 -37.16 3.14 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -162.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.61 45.51 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.58 -11.46 59.87 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.938 0.895 . . . . 0.0 112.947 159.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.535 ' O ' ' HD1' ' A' ' 21' ' ' TYR . . . 100.36 25.02 9.04 Favored Glycine 0 CA--C 1.571 3.581 0 O-C-N 120.872 -1.142 . . . . 0.0 115.297 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.535 ' HD1' ' O ' ' A' ' 20' ' ' GLY . 11.5 m-30 -119.82 167.05 12.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.213 -1.169 . . . . 0.0 111.674 163.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 mt -126.13 146.72 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 110.219 161.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -119.45 169.05 10.38 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.096 -1.002 . . . . 0.0 112.697 -174.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -38.12 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.226 -0.921 . . . . 0.0 110.23 -177.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.02 -36.51 72.43 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.761 ' O ' HD13 ' A' ' 30' ' ' ILE . 80.0 mt-10 -80.87 -20.71 41.67 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.9 -55.94 21.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.904 . . . . 0.0 111.831 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -20.35 -64.4 0.01 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.179 -0.95 . . . . 0.0 115.224 156.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.53 -33.06 74.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.305 -1.114 . . . . 0.0 113.9 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.761 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.23 -49.55 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.143 -0.973 . . . . 0.0 110.202 168.157 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.78 -34.97 5.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.314 -0.866 . . . . 0.0 111.358 168.002 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -52.33 8.78 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.34 -0.85 . . . . 0.0 110.794 -171.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.5 131.26 40.4 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.557 HG22 ' N ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -135.02 -63.18 0.7 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.264 -0.898 . . . . 0.0 109.887 -167.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 34' ' ' THR . . . 145.19 -167.34 27.38 Favored Glycine 0 CA--C 1.571 3.569 0 O-C-N 121.203 -0.936 . . . . 0.0 115.125 -157.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.401 0 O-C-N 121.223 -1.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.344 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 51.0 t -128.45 84.56 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.574 ' O ' HD12 ' B' ' 43' ' ' ILE . 0.3 OUTLIER -151.53 166.06 32.33 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.157 -0.964 . . . . 0.0 109.72 -174.264 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -20.8 65.0 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 174.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.44 -33.96 76.87 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.88 -30.36 40.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.229 -0.919 . . . . 0.0 112.658 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.574 HD12 ' O ' ' B' ' 39' ' ' THR . 1.9 mp -58.95 -43.92 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.216 -0.927 . . . . 0.0 110.149 165.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -46.52 72.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.472 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -62.51 -37.83 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.475 -0.766 . . . . 0.0 112.655 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.3 -45.43 84.39 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.97 6.3 42.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -0.982 . . . . 0.0 112.254 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.495 ' HE3' ' HB2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -94.47 -36.28 11.94 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.075 0.95 . . . . 0.0 110.029 155.326 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.5 -71.15 0.22 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 0.0 112.472 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.1 m -74.58 16.6 0.26 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.232 -0.917 . . . . 0.0 113.0 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.33 130.55 39.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.183 -0.948 . . . . 0.0 112.715 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.99 -128.78 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.121 -0.987 . . . . 0.0 109.809 154.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -70.36 -44.56 67.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.919 -1.113 . . . . 0.0 113.329 167.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m120 46.12 95.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.085 -1.01 . . . . 0.0 113.34 -155.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.59 -31.85 71.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.155 -0.965 . . . . 0.0 112.678 162.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.48 -56.37 0.02 OUTLIER Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.215 -0.928 . . . . 0.0 115.18 161.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -125.97 -175.62 3.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.298 -1.119 . . . . 0.0 113.916 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.983 HG23 ' HB2' ' B' ' 62' ' ' GLU . 21.8 mt -108.34 144.6 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 C-N-CA 123.85 0.86 . . . . 0.0 110.262 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -117.07 -168.88 1.55 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.239 1.016 . . . . 0.0 112.773 163.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.55 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -65.49 -30.59 71.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.089 -1.007 . . . . 0.0 112.098 -173.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.45 -83.35 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.939 2.304 . . . . 0.0 111.417 165.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.983 ' HB2' HG23 ' B' ' 58' ' ' ILE . 6.3 mm-40 -24.62 -39.76 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.65 -1.614 . . . . 0.0 113.635 165.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 59.8 t80 -62.34 -49.65 74.76 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.412 -0.805 . . . . 0.0 112.069 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.52 HD21 HD22 ' A' ' 7' ' ' LEU . 30.9 mt -58.12 -41.74 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.288 1.035 . . . . 0.0 111.782 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.6 -29.55 51.97 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.016 -1.053 . . . . 0.0 109.362 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -83.35 -48.45 10.38 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -19.46 64.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.164 -0.96 . . . . 0.0 110.465 172.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.48 -58.42 3.52 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 162.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.6 -147.24 11.19 Favored Glycine 0 CA--C 1.571 3.574 0 O-C-N 121.086 -1.008 . . . . 0.0 115.093 157.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.18 148.87 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.228 -1.16 . . . . 0.0 108.495 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.85 99.87 7.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.187 -0.946 . . . . 0.0 111.859 -159.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.387 0 O-C-N 121.235 -0.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -89.39 44.08 1.19 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.501 -0.749 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -96.13 84.51 3.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.226 -0.921 . . . . 0.0 112.386 -164.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 4.6 pt-20 -126.43 12.35 7.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.177 -0.952 . . . . 0.0 112.417 175.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -48.41 60.88 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -167.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.96 -34.58 57.58 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -31.21 69.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.244 -0.91 . . . . 0.0 111.714 167.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.662 ' CB ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.46 -43.5 18.78 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -45.4 -52.71 9.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.213 -0.93 . . . . 0.0 113.196 160.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.15 80.23 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 86.6 t80 -76.0 -28.18 57.69 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.878 0.871 . . . . 0.0 111.969 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -79.35 -43.68 23.04 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.295 1.038 . . . . 0.0 112.996 165.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.89 -30.26 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.455 1.102 . . . . 0.0 110.234 -164.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 30' ' ' ILE . 7.7 m-30 -56.03 -59.19 5.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.244 -0.91 . . . . 0.0 110.422 158.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -80.41 140.7 35.88 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.185 -0.947 . . . . 0.0 112.824 -160.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.95 7.37 11.45 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.079 -1.013 . . . . 0.0 109.996 -163.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 7.2 m-20 179.81 83.98 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.192 -1.567 . . . . 0.0 114.536 -153.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 67.08 76.19 0.29 Allowed 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -153.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -55.08 -15.18 1.95 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 123.843 0.857 . . . . 0.0 112.894 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -54.86 -61.76 6.99 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 120.855 -1.153 . . . . 0.0 115.142 169.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 2.0 m-30 -116.17 153.55 31.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.291 -1.123 . . . . 0.0 111.716 -172.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 mt -108.52 144.69 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.152 -0.968 . . . . 0.0 110.236 167.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -115.15 163.11 16.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.196 -0.94 . . . . 0.0 112.721 -174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' B' ' 47' ' ' MET . 1.1 tt -62.95 -31.11 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 110.181 -175.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.65 -30.57 41.3 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.38 -30.53 37.87 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.983 HD23 HD11 ' A' ' 31' ' ' LEU . 9.8 tt -46.5 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.218 -0.926 . . . . 0.0 111.942 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.672 ' HA2' HD12 ' A' ' 31' ' ' LEU . . . -43.1 -41.07 4.61 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.155 -0.966 . . . . 0.0 115.106 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 16.1 mt-10 -72.98 -31.18 64.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.226 -1.161 . . . . 0.0 113.883 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.528 HG21 ' CE2' ' A' ' 14' ' ' PHE . 12.8 mm -54.49 -68.39 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.211 -0.931 . . . . 0.0 110.23 159.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.983 HD11 HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -62.08 -25.11 67.51 Favored 'General case' 0 CA--C 1.574 1.881 0 O-C-N 121.113 -0.992 . . . . 0.0 111.379 -162.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.14 -40.88 3.05 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.295 -0.878 . . . . 0.0 110.803 -170.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -99.74 130.24 45.93 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -156.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 t -85.41 144.45 28.0 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.224 -0.922 . . . . 0.0 109.702 170.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.21 17.67 0.07 OUTLIER Glycine 0 CA--C 1.572 3.63 0 O-C-N 121.234 -0.917 . . . . 0.0 115.057 163.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.408 0 O-C-N 121.246 -1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ACE . . . . . 0.537 ' C ' HG23 ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.235 0.321 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.537 HG23 ' C ' ' B' ' 37' ' ' ACE . 1.5 t 79.77 91.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 18.4 p -146.58 153.08 39.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.158 -0.964 . . . . 0.0 109.756 165.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.51 -15.57 62.81 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -39.18 85.12 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 172.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.23 -47.14 82.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 170.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mm -56.29 -50.63 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.094 -1.004 . . . . 0.0 110.21 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -38.17 87.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.141 -0.974 . . . . 0.0 113.617 -173.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -76.83 -25.68 53.47 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.145 0.978 . . . . 0.0 112.714 174.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.97 -45.68 73.51 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.683 ' HG2' HD12 ' A' ' 24' ' ' ILE . 1.6 ttt -91.28 15.52 11.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.077 -1.015 . . . . 0.0 112.117 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.91 -37.11 5.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 160.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.43 -45.14 76.94 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.589 -0.694 . . . . 0.0 112.432 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.1 p -77.19 -25.62 52.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 112.867 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.99 141.31 33.38 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.17 -0.956 . . . . 0.0 112.724 -154.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -166.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.224 -0.922 . . . . 0.0 109.89 157.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -72.51 -54.02 10.4 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.178 -0.951 . . . . 0.0 113.138 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 71.88 127.5 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 158.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -65.7 -22.3 66.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.151 -0.968 . . . . 0.0 112.685 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -9.97 0.07 OUTLIER Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.182 -0.949 . . . . 0.0 115.429 156.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -136.41 163.67 29.93 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.119 -1.224 . . . . 0.0 113.815 -160.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.933 HG23 ' HB2' ' B' ' 62' ' ' GLU . 61.1 mt -102.95 155.9 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 124.065 0.946 . . . . 0.0 110.197 -173.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -133.75 177.2 7.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.053 -1.029 . . . . 0.0 112.843 166.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.662 ' HE2' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -54.36 -30.03 50.38 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.03 -1.044 . . . . 0.0 111.977 -163.028 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.89 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 124.931 2.3 . . . . 0.0 111.484 168.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.933 ' HB2' HG23 ' B' ' 58' ' ' ILE . 37.9 mt-10 -28.57 -33.17 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.998 166.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.513 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 2.2 t80 -63.24 -52.21 63.07 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.744 -1.223 . . . . 0.0 111.834 173.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.28 -26.87 63.49 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.478 1.111 . . . . 0.0 111.831 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.656 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -96.78 -19.03 19.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.214 -0.929 . . . . 0.0 109.549 -179.416 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 24.3 ttp -78.91 -49.28 13.09 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.3 tpt -57.07 -62.6 1.64 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.268 -0.895 . . . . 0.0 110.52 162.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -116.86 9.51 13.87 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.554 1.141 . . . . 0.0 114.068 -157.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.57 173.84 27.57 Favored Glycine 0 CA--C 1.571 3.574 0 O-C-N 120.805 -1.184 . . . . 0.0 115.071 160.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.11 140.46 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.159 -1.2 . . . . 0.0 108.538 -162.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -50.61 121.62 6.05 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.117 -0.989 . . . . 0.0 111.909 -166.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.394 0 O-C-N 121.093 -1.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.36 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -154.66 83.79 1.1 Allowed 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 123.948 0.899 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.14 58.86 1.13 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.24 -0.913 . . . . 0.0 112.379 -173.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER -90.89 29.78 1.3 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.113 -0.992 . . . . 0.0 111.918 174.253 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -38.62 72.95 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -166.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -18.06 15.54 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.771 HD22 ' HE1' ' B' ' 67' ' ' MET . 6.3 mt -69.33 -23.43 63.78 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.258 -0.901 . . . . 0.0 111.747 157.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.59 -52.8 10.79 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -50.37 -43.11 54.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.297 -0.877 . . . . 0.0 113.288 162.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -68.33 -31.52 71.0 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.73 ' HA ' ' HE2' ' B' ' 63' ' ' PHE . 0.6 OUTLIER -75.83 -40.46 54.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.311 -0.868 . . . . 0.0 112.088 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -51.6 -43.7 62.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.211 -0.931 . . . . 0.0 112.898 161.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.83 -34.01 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 C-N-CA 124.32 1.048 . . . . 0.0 110.216 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' A' ' 30' ' ' ILE . 3.3 m-85 -55.92 -43.75 77.63 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.205 -0.934 . . . . 0.0 110.351 163.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.38 167.46 18.11 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.166 -0.959 . . . . 0.0 112.766 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.18 -53.76 0.85 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.113 -0.992 . . . . 0.0 109.192 170.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -94.52 -21.32 18.95 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -167.045 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 77.0 54.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 165.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -75.81 -19.83 58.65 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.032 0.933 . . . . 0.0 112.712 160.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.46 -15.98 49.14 Favored Glycine 0 CA--C 1.571 3.583 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -165.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -115.06 158.32 22.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.03 -1.277 . . . . 0.0 111.736 -163.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.481 HG13 ' CE1' ' A' ' 11' ' ' PHE . 2.8 mt -108.51 123.67 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 C-N-CA 124.168 0.987 . . . . 0.0 110.299 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -106.25 175.85 5.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -63.6 -29.78 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.277 -0.889 . . . . 0.0 110.222 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.72 -34.99 58.09 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -72.51 -36.62 68.4 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.885 HD23 HD23 ' A' ' 31' ' ' LEU . 5.9 tt -79.2 -45.02 20.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.863 -155.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.05 -36.98 92.02 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.15 -0.969 . . . . 0.0 115.105 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -34.49 54.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.256 -1.144 . . . . 0.0 113.88 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' A' ' 14' ' ' PHE . 4.4 mm -48.46 -70.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.151 -0.968 . . . . 0.0 110.184 156.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.938 HD21 HG12 ' B' ' 43' ' ' ILE . 3.6 pp -68.21 -8.98 43.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.192 -0.943 . . . . 0.0 111.696 -163.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -85.87 -49.92 7.51 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.174 -0.954 . . . . 0.0 110.871 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 -175.54 0.73 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -161.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -40.9 -83.06 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.262 -0.899 . . . . 0.0 109.824 169.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.68 16.4 75.56 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.243 -0.91 . . . . 0.0 115.086 -169.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 O-C-N 121.265 -1.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.307 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.467 HG11 HD13 ' A' ' 31' ' ' LEU . 4.4 t 65.48 89.61 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -73.29 160.98 31.04 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.231 -0.918 . . . . 0.0 109.791 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.584 ' HA ' HD12 ' B' ' 43' ' ' ILE . 0.9 OUTLIER -70.01 -23.1 63.08 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -168.224 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -26.94 66.77 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.67 -37.38 70.78 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.305 -0.872 . . . . 0.0 112.692 168.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.938 HG12 HD21 ' A' ' 31' ' ' LEU . 5.7 mt -57.25 -56.05 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.123 -0.985 . . . . 0.0 110.153 172.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.27 86.35 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.25 -42.52 88.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 112.663 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.6 tp -71.72 -44.26 64.45 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 1.5 ttm -73.01 -13.81 61.3 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.194 -0.941 . . . . 0.0 112.02 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -34.49 23.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.221 -0.925 . . . . 0.0 109.92 163.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.32 -34.6 77.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.487 -0.758 . . . . 0.0 112.464 -176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -82.19 -49.57 9.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.331 -0.855 . . . . 0.0 112.84 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.23 147.88 44.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.193 -0.942 . . . . 0.0 112.685 -164.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -112.39 0.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.214 -0.928 . . . . 0.0 109.912 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -71.33 5.48 2.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.536 -1.352 . . . . 0.0 113.418 -161.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 70.62 76.22 0.19 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.919 -1.113 . . . . 0.0 113.246 161.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -95.6 -29.26 14.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.159 -0.963 . . . . 0.0 112.703 157.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.42 35.57 5.17 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.256 -0.903 . . . . 0.0 115.159 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -159.05 131.95 7.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.085 -1.244 . . . . 0.0 114.044 -170.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.834 HG23 ' HB2' ' B' ' 62' ' ' GLU . 79.8 mt -111.86 146.84 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.209 -0.932 . . . . 0.0 110.411 -165.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -107.14 -168.01 1.34 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 112.787 170.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.616 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -68.01 -34.19 76.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.112 -0.993 . . . . 0.0 112.012 177.145 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.83 -83.18 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.123 0 CA-C-O 124.753 2.216 . . . . 0.0 111.69 170.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.834 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.4 mm-40 -24.23 -42.35 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.761 0 CA-C-N 113.84 -1.527 . . . . 0.0 113.615 164.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.73 ' HE2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -62.31 -46.5 88.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.428 -0.795 . . . . 0.0 111.939 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.51 -40.87 96.18 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 125.018 1.327 . . . . 0.0 111.763 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -45.93 32.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.124 -0.985 . . . . 0.0 109.334 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 4.7 ttm -46.37 -58.34 3.81 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.771 ' HE1' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -91.96 -11.61 35.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.122 -0.986 . . . . 0.0 110.485 -163.003 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -73.15 0.25 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 154.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.69 -28.76 12.27 Favored Glycine 0 CA--C 1.571 3.583 0 O-C-N 121.154 -0.966 . . . . 0.0 115.117 176.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.33 151.04 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.255 -1.144 . . . . 0.0 108.559 -168.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -137.94 104.59 5.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.171 -0.955 . . . . 0.0 111.977 163.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.399 0 O-C-N 121.282 -0.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.364 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -154.72 101.92 2.34 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.498 -0.751 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.21 32.46 1.0 Allowed 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 123.983 0.913 . . . . 0.0 112.344 159.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 2.0 tt0 -70.02 -20.36 63.27 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.258 -0.901 . . . . 0.0 111.847 172.191 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.75 -32.18 65.46 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -30.92 16.17 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.81 HD12 HD23 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -77.17 -19.17 57.16 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.142 0.977 . . . . 0.0 111.736 162.333 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -65.04 -64.07 0.95 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 166.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -47.41 -38.31 13.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.317 -0.864 . . . . 0.0 113.31 166.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.31 -39.81 78.05 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 176.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.778 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 64.3 t80 -74.63 -30.33 61.6 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.957 0.903 . . . . 0.0 112.076 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -46.51 58.69 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.343 1.057 . . . . 0.0 112.907 167.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -75.55 -31.62 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 C-N-CA 124.418 1.087 . . . . 0.0 110.236 -166.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -59.14 -49.56 77.41 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.258 -0.901 . . . . 0.0 110.435 162.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.67 132.64 53.0 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.214 -0.928 . . . . 0.0 112.759 -170.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -100.8 -36.58 9.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.133 -0.98 . . . . 0.0 109.291 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -98.25 -29.6 13.1 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -162.426 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 74.66 63.45 0.07 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 167.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.97 8.71 26.45 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.566 1.146 . . . . 0.0 112.628 155.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.31 25.73 72.5 Favored Glycine 0 CA--C 1.572 3.637 0 O-C-N 121.294 -0.879 . . . . 0.0 115.079 -165.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -118.21 166.3 12.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.332 -1.099 . . . . 0.0 111.68 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -128.45 125.19 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.075 -1.015 . . . . 0.0 110.241 161.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -101.27 171.83 7.36 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.111 -0.993 . . . . 0.0 112.775 -176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -29.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.313 -0.867 . . . . 0.0 110.313 174.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -70.13 -29.91 66.95 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 94.2 mt-10 -76.7 -26.35 54.62 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.799 HD12 HG21 ' B' ' 43' ' ' ILE . 2.0 tm? -69.76 -40.64 75.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.21 -0.931 . . . . 0.0 111.784 -159.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.25 82.99 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.178 -0.951 . . . . 0.0 115.059 167.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.5 mm-40 -78.36 -32.33 48.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.241 -1.152 . . . . 0.0 113.87 163.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.901 HG22 HD23 ' A' ' 31' ' ' LEU . 61.0 mt -58.6 -72.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.233 -0.917 . . . . 0.0 110.25 166.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.901 HD23 HG22 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.51 -36.67 81.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -174.108 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.07 10.29 8.14 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.326 -0.859 . . . . 0.0 110.768 -155.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -112.73 -176.02 2.81 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 161.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.7 p -74.39 -48.23 29.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.22 -0.925 . . . . 0.0 109.712 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.17 -80.29 0.23 Allowed Glycine 0 CA--C 1.571 3.542 0 O-C-N 121.211 -0.93 . . . . 0.0 115.153 164.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.444 0 O-C-N 121.144 -1.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.31 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.26 74.13 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.7 p -99.84 171.94 7.56 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.237 -0.915 . . . . 0.0 109.795 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.59 -43.55 89.37 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -164.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.61 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -67.4 -45.68 75.47 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.245 -0.909 . . . . 0.0 112.724 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.799 HG21 HD12 ' A' ' 27' ' ' LEU . 10.0 mt -58.8 -35.06 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 172.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -35.91 68.4 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -72.63 -34.44 67.31 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.001 0.92 . . . . 0.0 112.688 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.36 -44.61 96.88 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 160.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.49 -38.87 88.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.137 -0.977 . . . . 0.0 112.074 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -30.79 62.92 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 124.015 0.926 . . . . 0.0 110.18 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -66.94 -39.68 87.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.42 -0.8 . . . . 0.0 112.441 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.1 m -60.52 -33.13 72.2 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.157 -0.965 . . . . 0.0 112.724 166.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.93 148.19 38.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.16 -0.963 . . . . 0.0 112.628 -174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -53.34 0.76 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.14 -0.975 . . . . 0.0 110.129 157.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -75.02 10.67 1.37 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 59.55 30.92 20.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.912 -1.117 . . . . 0.0 113.266 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.33 74.74 6.95 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.261 -0.899 . . . . 0.0 112.69 155.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.91 -22.22 0.28 Allowed Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.132 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -92.0 138.81 31.23 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.19 -1.182 . . . . 0.0 113.851 168.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.847 HG23 ' HB2' ' B' ' 62' ' ' GLU . 58.4 mt -108.76 141.59 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.073 -1.017 . . . . 0.0 110.195 -159.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -115.81 177.35 4.71 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.238 1.015 . . . . 0.0 112.836 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -41.94 74.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 -168.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.847 ' HB2' HG23 ' B' ' 58' ' ' ILE . 6.0 mm-40 -28.09 -48.08 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 165.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.778 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 5.5 t80 -59.43 -39.1 82.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.431 -0.793 . . . . 0.0 112.223 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.81 HD23 HD12 ' A' ' 7' ' ' LEU . 7.1 mt -70.87 -21.47 62.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.313 -0.867 . . . . 0.0 111.777 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -85.27 -42.32 14.75 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.291 -0.881 . . . . 0.0 109.314 173.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.8 ttp -56.9 -20.37 22.91 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 8.9 mmt -98.18 -65.31 0.97 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.241 -0.912 . . . . 0.0 110.545 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -130.82 39.95 3.54 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.01 -86.43 0.24 Allowed Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.28 -0.888 . . . . 0.0 115.084 156.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.2 134.4 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.272 -1.134 . . . . 0.0 108.524 -161.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.01 3.58 54.34 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.221 -0.924 . . . . 0.0 112.158 -174.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.063 -1.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.352 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.23 143.92 44.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.484 -0.76 . . . . 0.0 110.024 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.07 22.31 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.223 -0.923 . . . . 0.0 112.404 -168.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.1 OUTLIER -139.79 -32.28 0.63 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.272 -0.893 . . . . 0.0 111.822 -166.388 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -58.48 -32.98 69.28 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -85.63 -57.4 3.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -24.66 7.36 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 111.699 168.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.62 -62.26 1.51 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -47.26 -30.25 2.94 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.263 -0.898 . . . . 0.0 113.206 164.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.83 -31.44 45.8 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.653 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 76.5 t80 -74.21 -30.31 62.13 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 112.086 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -53.0 40.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.233 -0.917 . . . . 0.0 112.933 165.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.36 -31.57 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 C-N-CA 124.205 1.002 . . . . 0.0 110.309 -166.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' A' ' 30' ' ' ILE . 4.2 m-30 -45.37 -72.95 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.254 -0.904 . . . . 0.0 110.397 162.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.71 145.04 55.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.189 -0.945 . . . . 0.0 112.803 -154.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HD3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -62.99 -33.42 75.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.189 -0.944 . . . . 0.0 109.233 -166.074 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -136.55 -39.41 0.65 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -166.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.11 67.07 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 158.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.73 -17.63 64.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.902 . . . . 0.0 112.786 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.488 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 106.37 17.55 12.32 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 120.986 -1.071 . . . . 0.0 115.301 -169.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.488 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.6 m-30 -117.6 166.05 12.85 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.253 -1.145 . . . . 0.0 111.625 168.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.881 HG23 ' CD ' ' A' ' 26' ' ' GLU . 96.1 mt -119.58 127.82 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.022 -1.049 . . . . 0.0 110.198 165.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.36 165.51 11.45 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.054 -1.029 . . . . 0.0 112.66 -172.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -2.43 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.217 -0.927 . . . . 0.0 110.493 172.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.93 -40.81 23.96 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.511 -1.368 . . . . 0.0 113.613 164.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.881 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.91 -46.92 27.5 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -172.022 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.99 HD21 HD12 ' B' ' 43' ' ' ILE . 7.1 tt -40.27 -54.78 2.31 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 125.232 1.413 . . . . 0.0 112.059 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.86 -29.21 72.58 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 121.072 -1.017 . . . . 0.0 115.098 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 2.7 tp10 -59.89 -45.23 93.17 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.198 -1.178 . . . . 0.0 113.907 165.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 14' ' ' PHE . 20.5 mm -58.25 -59.38 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.226 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 1.041 HD12 HD11 ' B' ' 43' ' ' ILE . 0.4 OUTLIER -65.13 -37.37 87.21 Favored 'General case' 0 CA--C 1.575 1.907 0 O-C-N 121.023 -1.048 . . . . 0.0 111.428 -172.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -33.87 20.6 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.335 -0.853 . . . . 0.0 110.806 -171.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.14 134.5 10.81 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 166.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 p -78.77 -14.43 59.28 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.176 -0.953 . . . . 0.0 109.725 166.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.54 -92.78 2.17 Favored Glycine 0 CA--C 1.572 3.617 0 O-C-N 121.208 -0.933 . . . . 0.0 115.085 166.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.44 0 O-C-N 121.207 -1.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.356 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.53 107.68 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.2 p -130.12 -161.21 1.1 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.182 -0.949 . . . . 0.0 109.768 156.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.34 -31.87 73.14 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -173.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.61 -46.08 77.08 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -65.4 -36.41 83.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.227 -0.921 . . . . 0.0 112.702 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 1.041 HD11 HD12 ' A' ' 31' ' ' LEU . 2.4 mm -56.99 -48.68 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.988 . . . . 0.0 110.081 170.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -34.83 77.12 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.14 -45.83 89.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.31 -0.869 . . . . 0.0 112.663 168.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.45 -47.22 50.65 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.92 29.37 1.84 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.984 -1.072 . . . . 0.0 112.108 178.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -126.09 -35.62 2.43 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.166 0.987 . . . . 0.0 109.991 156.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.4 -41.64 84.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.361 -0.837 . . . . 0.0 112.439 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 56.6 m -71.79 -39.51 69.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 112.909 162.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.49 3.29 28.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.188 -0.945 . . . . 0.0 112.717 -168.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -27.43 9.45 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.194 -0.941 . . . . 0.0 110.052 -169.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.04 17.38 0.34 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.193 -0.942 . . . . 0.0 113.229 -165.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.4 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.776 0.83 . . . . 0.0 112.758 171.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 1.11 58.57 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.605 1.162 . . . . 0.0 112.509 -153.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.61 48.79 3.1 Favored Glycine 0 CA--C 1.572 3.641 0 C-N-CA 124.399 1.0 . . . . 0.0 114.885 169.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -9.39 140.78 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 154.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.971 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.3 mt -92.97 134.24 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 C-N-CA 124.65 1.18 . . . . 0.0 110.316 -155.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -110.38 -179.76 3.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.013 -1.054 . . . . 0.0 112.862 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.76 -39.91 59.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.938 -1.101 . . . . 0.0 112.052 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.93 -84.14 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 125.031 2.348 . . . . 0.0 111.531 170.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.971 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.7 mt-10 -25.0 -35.86 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.718 0 C-N-CA 125.674 1.589 . . . . 0.0 113.828 167.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.653 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 3.7 t80 -61.73 -60.05 4.24 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.143 -0.973 . . . . 0.0 111.794 173.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.4 mt -51.75 -27.41 11.98 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.21 1.004 . . . . 0.0 111.803 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.36 -45.03 9.28 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.082 -1.011 . . . . 0.0 109.482 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.07 -24.12 6.32 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -91.33 -57.33 2.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.206 -0.934 . . . . 0.0 110.561 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.58 -36.09 79.66 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.45 -176.58 27.4 Favored Glycine 0 CA--C 1.572 3.635 0 O-C-N 121.197 -0.939 . . . . 0.0 115.074 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -121.98 99.35 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.28 -1.129 . . . . 0.0 108.47 158.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.31 145.71 41.56 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.208 -0.932 . . . . 0.0 111.96 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.425 0 O-C-N 121.233 -0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.346 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -32.74 122.5 0.36 Allowed 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.588 0.755 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -105.01 15.24 28.01 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.294 -0.879 . . . . 0.0 112.357 -158.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 0.0 OUTLIER -115.44 -22.72 9.17 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.308 -0.87 . . . . 0.0 111.82 -167.479 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.674 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 47.9 tt0 -61.32 -45.6 93.76 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 164.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -76.7 -49.3 16.4 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -25.1 25.22 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.218 -0.926 . . . . 0.0 111.773 163.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.91 -50.87 53.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -52.77 -48.97 66.44 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.267 -0.895 . . . . 0.0 113.279 166.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.91 69.08 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 171.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.657 ' HE1' HG13 ' A' ' 22' ' ' ILE . 20.8 t80 -75.67 -58.24 3.4 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.323 -0.861 . . . . 0.0 112.165 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -42.72 -46.77 5.23 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.165 0.986 . . . . 0.0 112.977 163.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -69.15 -42.87 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 C-N-CA 124.234 1.014 . . . . 0.0 110.249 -169.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.02 -36.4 74.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.301 -0.874 . . . . 0.0 110.408 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -80.89 109.44 15.46 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.246 -0.909 . . . . 0.0 112.827 -165.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.95 -70.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.077 -1.015 . . . . 0.0 109.232 -178.731 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -97.64 -18.73 18.73 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -161.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 77.52 69.67 0.05 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 159.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.16 -19.3 30.3 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.916 0.887 . . . . 0.0 112.701 160.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.55 1.9 53.23 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.282 -0.886 . . . . 0.0 115.246 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.456 ' HD2' ' NH1' ' B' ' 57' ' ' ARG . 22.9 m-30 -123.63 156.03 36.59 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.131 -1.217 . . . . 0.0 111.653 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.657 HG13 ' HE1' ' A' ' 11' ' ' PHE . 25.9 mt -106.92 146.81 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.032 -1.042 . . . . 0.0 110.275 170.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -122.7 176.18 6.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.217 -0.927 . . . . 0.0 112.747 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 tt -71.81 -27.09 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.129 -0.982 . . . . 0.0 110.269 -175.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.14 -35.43 74.05 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.073 -1.017 . . . . 0.0 113.724 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.57 -24.16 58.88 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.907 ' CD1' HG23 ' B' ' 43' ' ' ILE . 1.9 tm? -61.04 -74.83 0.07 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.156 0.982 . . . . 0.0 111.828 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -49.02 -49.91 28.65 Favored Glycine 0 CA--C 1.572 3.623 0 O-C-N 121.136 -0.978 . . . . 0.0 115.092 -175.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.48 -36.68 68.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.301 -1.117 . . . . 0.0 113.939 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.428 HG22 HD23 ' A' ' 31' ' ' LEU . 59.1 mt -43.61 -65.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.073 -1.017 . . . . 0.0 110.157 159.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.26 -34.18 60.21 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.091 -1.006 . . . . 0.0 111.417 -175.701 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.34 -29.94 19.94 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.353 -0.842 . . . . 0.0 110.811 -170.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.67 64.4 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -164.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 p -135.43 -27.22 1.21 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.304 -0.873 . . . . 0.0 109.833 -159.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.07 64.59 2.61 Favored Glycine 0 CA--C 1.572 3.62 0 O-C-N 121.229 -0.92 . . . . 0.0 115.085 167.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 O-C-N 121.235 -1.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 41.65 58.88 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' H ' ' B' ' 42' ' ' ASP . 15.3 t -66.15 168.09 9.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.166 -0.958 . . . . 0.0 109.798 176.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -74.32 -21.97 59.47 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 163.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.12 -35.76 79.72 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 172.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.666 ' H ' HG23 ' B' ' 39' ' ' THR . 71.5 m-20 -59.22 -36.8 76.06 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.215 -0.928 . . . . 0.0 112.664 169.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.907 HG23 ' CD1' ' A' ' 27' ' ' LEU . 1.2 mp -70.08 -46.81 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 172.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -38.69 86.04 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.09 -36.91 66.88 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.998 0.919 . . . . 0.0 112.667 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.63 -45.3 94.66 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 17.0 tpt -78.7 -7.12 57.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.151 -0.968 . . . . 0.0 112.086 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -93.15 -33.8 13.88 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.151 -0.968 . . . . 0.0 109.973 164.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.4 -52.06 44.32 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.501 -0.749 . . . . 0.0 112.446 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.6 m -63.9 -42.73 97.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.201 -0.937 . . . . 0.0 112.854 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.08 179.8 4.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 112.706 -161.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.27 -138.33 0.16 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.143 -0.973 . . . . 0.0 109.589 154.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -69.53 -45.53 68.61 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.616 -1.302 . . . . 0.0 113.029 -155.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m120 53.54 98.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.983 0.913 . . . . 0.0 113.444 154.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -27.02 -37.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.252 1.021 . . . . 0.0 112.739 154.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.26 -25.95 0.1 OUTLIER Glycine 0 CA--C 1.572 3.6 0 O-C-N 121.066 -1.021 . . . . 0.0 115.404 154.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.456 ' NH1' ' HD2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -116.25 173.55 6.53 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.136 -1.214 . . . . 0.0 114.071 -154.388 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.968 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.4 mt -109.54 150.22 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 110.335 -171.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -120.23 174.86 6.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.075 -1.015 . . . . 0.0 112.826 166.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.04 -33.27 51.11 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.955 -1.09 . . . . 0.0 112.025 -171.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.32 -84.73 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.84 2.257 . . . . 0.0 111.271 170.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.968 ' HB2' HG23 ' B' ' 58' ' ' ILE . 8.7 mt-10 -28.58 -33.53 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.913 -1.494 . . . . 0.0 113.982 168.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -62.34 -53.5 54.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.718 -1.239 . . . . 0.0 111.973 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.72 -32.18 59.31 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.414 1.086 . . . . 0.0 111.838 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -85.74 -51.12 6.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.063 -1.023 . . . . 0.0 109.35 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.8 ttp -52.96 -30.21 33.5 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 171.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 36.3 tpp -77.52 -54.73 6.06 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.217 -0.927 . . . . 0.0 110.601 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.76 -88.13 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.79 152.96 7.68 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.166 -0.959 . . . . 0.0 115.106 -168.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.515 HG13 ' N ' ' B' ' 72' ' ' NH2 . 0.9 OUTLIER -114.56 157.43 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.286 -1.126 . . . . 0.0 108.478 165.058 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -70.96 -31.94 68.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.163 -0.961 . . . . 0.0 112.037 161.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . 0.515 ' N ' HG13 ' B' ' 70' ' ' VAL . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.253 -0.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.368 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 pttm -96.21 145.62 25.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.457 -0.777 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.86 -164.27 1.1 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.247 -0.908 . . . . 0.0 112.397 159.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.5 tt0 -157.4 -30.31 0.08 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.235 -0.916 . . . . 0.0 111.836 161.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 6.4 tt0 -46.81 -55.7 7.48 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -41.08 96.51 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -173.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.113 HD22 HD23 ' B' ' 64' ' ' LEU . 5.1 mp -69.58 -21.54 63.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 111.711 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.42 -62.22 1.53 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -42.8 -53.06 4.78 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 113.232 162.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.2 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CD1' HD12 ' A' ' 22' ' ' ILE . 79.8 t80 -77.0 -30.05 55.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 0.0 112.13 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -68.73 -30.14 68.71 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.422 1.089 . . . . 0.0 113.027 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -79.72 -37.61 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 C-N-CA 124.359 1.064 . . . . 0.0 110.172 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CD1' HD12 ' A' ' 30' ' ' ILE . 10.8 m-30 -71.25 -28.72 64.36 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.841 0.856 . . . . 0.0 110.435 178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.709 ' OD2' ' HB3' ' A' ' 18' ' ' ALA . 61.6 t0 -40.38 141.23 0.54 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.212 1.005 . . . . 0.0 112.843 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 -38.85 4.39 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.205 -0.934 . . . . 0.0 109.29 165.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -128.19 -81.66 0.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.709 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . . . 72.47 83.32 0.13 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 157.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.03 -21.0 58.38 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.245 -0.909 . . . . 0.0 112.767 161.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -175.5 -31.16 0.04 OUTLIER Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.116 -0.99 . . . . 0.0 115.002 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.444 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.5 m-30 -111.57 161.38 16.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.256 -1.143 . . . . 0.0 111.748 -166.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.552 HD12 ' CD1' ' A' ' 11' ' ' PHE . 84.1 mt -115.24 121.55 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.021 -1.049 . . . . 0.0 110.266 168.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.16 177.23 4.92 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.965 -1.084 . . . . 0.0 112.761 -157.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -27.45 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.203 -0.936 . . . . 0.0 110.22 -178.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -27.42 56.23 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' OE1' HG23 ' A' ' 22' ' ' ILE . 49.9 mt-10 -66.26 -38.53 88.04 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 166.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.733 HD12 HG23 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -64.22 -68.22 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.197 -0.939 . . . . 0.0 111.883 -157.619 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.54 -51.3 1.39 Allowed Glycine 0 CA--C 1.572 3.643 0 O-C-N 121.17 -0.956 . . . . 0.0 115.144 173.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -75.97 -20.87 57.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.266 -1.138 . . . . 0.0 113.89 -171.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' A' ' 14' ' ' PHE . 23.9 mm -58.87 -69.81 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 156.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.52 -36.84 46.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.094 -1.004 . . . . 0.0 111.349 -173.484 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -23.85 11.89 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.327 -0.858 . . . . 0.0 110.823 -164.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -123.42 172.62 8.56 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.49 -39.77 8.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.173 -0.954 . . . . 0.0 109.771 -171.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.81 162.35 27.43 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.154 -0.966 . . . . 0.0 115.129 -161.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.222 -1.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.327 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.53 150.98 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.722 ' O ' HD13 ' B' ' 43' ' ' ILE . 3.4 p -141.79 169.79 16.92 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.231 -0.918 . . . . 0.0 109.716 171.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.22 -60.54 3.69 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 167.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.96 -17.15 64.48 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.91 -37.94 19.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.172 -0.955 . . . . 0.0 112.698 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.733 HG23 HD12 ' A' ' 27' ' ' LEU . 1.7 mp -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.152 -0.968 . . . . 0.0 110.266 166.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -39.1 91.88 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.53 -37.33 84.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.367 -0.833 . . . . 0.0 112.645 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.06 -45.01 87.13 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 77.6 mmm -71.03 -48.23 54.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.982 -1.074 . . . . 0.0 112.052 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.85 -25.16 66.44 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.241 -0.912 . . . . 0.0 110.381 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.97 -57.95 5.89 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.878 -1.139 . . . . 0.0 112.399 168.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.4 p -66.09 -30.7 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.083 -1.01 . . . . 0.0 112.876 -168.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -82.78 134.48 35.12 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.222 -0.924 . . . . 0.0 112.682 -157.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -96.8 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 110.078 156.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -67.49 -6.74 21.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.217 -0.927 . . . . 0.0 113.355 -154.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 m120 62.79 38.14 11.91 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.15 -0.969 . . . . 0.0 113.303 170.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -72.7 -39.85 66.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.216 -0.928 . . . . 0.0 112.697 155.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.75 19.26 41.19 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.231 -0.918 . . . . 0.0 115.124 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -133.4 136.4 45.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -1.164 . . . . 0.0 113.859 170.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.547 HG23 ' HG3' ' B' ' 62' ' ' GLU . 70.3 mt -108.04 113.09 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.097 -1.002 . . . . 0.0 110.186 -154.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -94.14 163.45 13.46 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.907 -1.121 . . . . 0.0 113.16 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.467 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 40.9 t80 -51.81 -32.41 31.31 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.003 0.921 . . . . 0.0 112.034 -160.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -49.91 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 124.618 2.151 . . . . 0.0 111.362 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.547 ' HG3' HG23 ' B' ' 58' ' ' ILE . 10.5 pt-20 -38.37 -17.04 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 168.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.498 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 20.6 t80 -66.54 -58.82 4.4 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.747 -1.846 . . . . 0.0 112.059 162.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 1.113 HD23 HD22 ' A' ' 7' ' ' LEU . 19.0 mt -50.86 -28.56 9.77 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.591 1.156 . . . . 0.0 111.923 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -95.08 -21.8 18.31 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.119 -0.988 . . . . 0.0 109.604 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.1 ttp -73.45 -12.27 60.74 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.4 ttp -114.13 -40.45 3.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.212 -0.93 . . . . 0.0 110.546 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.03 39.18 2.75 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -24.97 108.17 0.01 OUTLIER Glycine 0 CA--C 1.572 3.622 0 O-C-N 121.248 -0.907 . . . . 0.0 115.14 160.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.78 115.47 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.299 -1.118 . . . . 0.0 108.51 160.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -40.06 140.12 0.61 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.158 -0.964 . . . . 0.0 111.935 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.419 0 O-C-N 121.118 -0.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.378 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt 73.46 97.86 0.07 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.568 -0.708 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 136.32 55.01 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.317 -0.864 . . . . 0.0 112.434 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 1.1 mp0 -112.93 -29.15 7.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.18 -0.95 . . . . 0.0 111.857 161.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -35.35 -60.34 0.49 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.52 -48.62 71.87 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.591 HD12 HD23 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -62.81 -36.17 82.31 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.219 -0.925 . . . . 0.0 111.704 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -51.07 31.46 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -39.48 -50.1 2.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.275 -0.891 . . . . 0.0 113.271 162.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.73 74.81 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 91.5 t80 -70.29 -31.22 68.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 112.119 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.879 ' HD2' HG12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -80.26 -38.8 30.21 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.24 -0.913 . . . . 0.0 112.944 170.439 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.879 HG12 ' HD2' ' A' ' 12' ' ' ARG . 1.9 mm -67.22 -38.82 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 C-N-CA 124.066 0.946 . . . . 0.0 110.291 -173.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.236 -0.915 . . . . 0.0 110.37 171.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.56 156.22 25.32 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.278 -0.889 . . . . 0.0 112.842 -167.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 15.1 mtmm -129.56 7.35 5.29 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.938 -167.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.498 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 179.93 83.71 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.216 -1.553 . . . . 0.0 114.588 -154.204 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 63.43 75.14 0.4 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -154.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.21 -21.73 0.3 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.376 -0.828 . . . . 0.0 112.714 168.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.74 -50.08 55.46 Favored Glycine 0 CA--C 1.572 3.618 0 O-C-N 121.142 -0.974 . . . . 0.0 115.209 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -116.94 156.06 28.06 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.245 -1.15 . . . . 0.0 111.735 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -115.36 158.34 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.227 -0.921 . . . . 0.0 110.266 166.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -126.85 168.82 13.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.006 -1.059 . . . . 0.0 112.67 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 tt -67.56 -29.63 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.178 -0.951 . . . . 0.0 110.253 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.85 -33.2 75.44 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 172.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -77.83 -25.37 48.78 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -66.96 -71.38 0.2 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.203 -0.936 . . . . 0.0 111.875 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -37.83 -61.39 1.13 Allowed Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.158 -0.964 . . . . 0.0 115.123 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.21 -30.86 71.93 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.307 -1.114 . . . . 0.0 113.931 -171.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.17 -74.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.186 -0.946 . . . . 0.0 110.253 156.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.606 HD23 HD22 ' A' ' 27' ' ' LEU . 4.5 pp -62.43 -4.22 1.78 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.29 -0.881 . . . . 0.0 111.681 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -64.79 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.229 -0.919 . . . . 0.0 110.808 168.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 34' ' ' THR . . . -96.67 162.79 13.29 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -164.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -161.91 -42.17 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.237 -0.915 . . . . 0.0 109.805 167.063 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.53 71.52 0.05 OUTLIER Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.213 -0.929 . . . . 0.0 115.09 169.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.438 0 O-C-N 121.199 -1.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.368 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t 73.86 123.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.02 -167.97 1.39 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.206 -0.934 . . . . 0.0 109.714 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.29 -37.78 86.83 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.63 72.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -61.56 -42.43 98.83 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.251 -0.906 . . . . 0.0 112.709 168.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mt -60.27 -58.56 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.143 -0.973 . . . . 0.0 110.191 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -32.89 74.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.052 -1.03 . . . . 0.0 113.776 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.32 -53.89 44.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.286 -0.884 . . . . 0.0 112.642 165.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.36 -61.39 2.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.113 -0.992 . . . . 0.0 113.671 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 27.5 ttt -89.58 -3.57 58.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.655 -1.278 . . . . 0.0 112.165 -159.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -37.08 11.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.163 -0.96 . . . . 0.0 109.909 163.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.46 -25.71 66.02 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.383 -0.823 . . . . 0.0 112.41 173.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -89.81 -48.99 6.89 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 0.0 112.859 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -72.77 130.3 40.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.702 -157.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -102.43 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.27 -0.894 . . . . 0.0 109.873 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -70.89 -7.27 44.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.848 -1.158 . . . . 0.0 113.301 -164.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.64 49.19 3.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.953 . . . . 0.0 113.266 163.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.02 -51.28 6.78 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.295 -0.878 . . . . 0.0 112.582 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -47.28 0.28 Allowed Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.257 -0.902 . . . . 0.0 115.209 173.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt-85 -112.63 158.72 19.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.305 -1.115 . . . . 0.0 113.866 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' B' ' 62' ' ' GLU . 66.0 mt -109.46 136.6 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.163 -0.961 . . . . 0.0 110.301 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -114.4 -178.27 3.33 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.225 1.01 . . . . 0.0 112.846 162.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -55.06 -34.88 63.96 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.015 -1.053 . . . . 0.0 112.033 -168.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -84.79 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.752 2.215 . . . . 0.0 111.39 172.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.615 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.1 mp0 -27.93 -35.91 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.821 167.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.6 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 56.2 t80 -61.85 -50.22 73.13 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.971 -1.081 . . . . 0.0 111.816 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.591 HD23 HD12 ' A' ' 7' ' ' LEU . 13.2 mt -56.85 -32.57 65.94 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 124.874 1.27 . . . . 0.0 111.882 175.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -85.65 -40.14 16.52 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.6 ttp -50.95 -36.12 37.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 169.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 7' ' ' LEU . 6.4 ptm -114.62 -14.8 12.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.174 -0.954 . . . . 0.0 110.537 -168.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.35 47.12 1.13 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 168.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -85.87 -142.64 6.59 Favored Glycine 0 CA--C 1.571 3.585 0 O-C-N 121.237 -0.914 . . . . 0.0 115.116 162.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.428 ' O ' HG13 ' B' ' 70' ' ' VAL . 7.3 p -79.58 101.89 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.226 -1.161 . . . . 0.0 108.527 -164.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.71 -34.24 0.59 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.183 -0.948 . . . . 0.0 111.923 165.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.423 0 O-C-N 121.163 -0.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.03 116.54 29.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.516 -0.74 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -131.47 99.26 4.76 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.288 -0.883 . . . . 0.0 112.42 166.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 21.4 pt-20 -152.39 -36.97 0.11 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.213 -0.929 . . . . 0.0 111.887 -167.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -54.61 -47.84 72.93 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -171.002 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.93 -43.38 13.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.557 HD22 HD23 ' B' ' 64' ' ' LEU . 1.4 mp -60.96 -8.59 3.3 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 124.18 0.992 . . . . 0.0 111.806 163.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -89.87 -42.39 11.26 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -59.34 -37.18 77.18 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.169 -0.957 . . . . 0.0 113.226 160.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.67 -38.59 77.13 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 174.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.892 ' HD2' ' CD2' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -74.1 -44.69 53.03 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.206 -0.934 . . . . 0.0 112.316 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.51 -53.67 10.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.064 -1.022 . . . . 0.0 112.979 160.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -68.49 -27.23 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.317 1.047 . . . . 0.0 110.304 -168.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.97 -51.57 63.74 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.052 0.941 . . . . 0.0 110.429 171.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -74.3 127.91 34.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.153 -0.967 . . . . 0.0 112.792 -162.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.28 -21.15 27.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.172 -0.955 . . . . 0.0 109.388 -162.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -122.38 -28.1 4.34 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.528 1.306 . . . . 0.0 114.528 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.88 50.16 0.86 Allowed 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 163.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.22 -12.16 60.77 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.174 -0.954 . . . . 0.0 112.67 154.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.35 -18.09 4.45 Favored Glycine 0 CA--C 1.573 3.66 0 O-C-N 121.17 -0.956 . . . . 0.0 115.073 174.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -112.06 171.33 7.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.344 -1.092 . . . . 0.0 111.706 -155.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' CE1' ' A' ' 11' ' ' PHE . 5.7 mt -107.04 144.53 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 110.291 157.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.65 165.01 12.17 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.125 -0.984 . . . . 0.0 112.648 170.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -39.25 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.324 -0.86 . . . . 0.0 110.182 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.89 -29.92 63.53 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -174.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.766 ' O ' HD13 ' A' ' 30' ' ' ILE . 63.1 mt-10 -79.77 -18.25 51.48 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 HD23 ' A' ' 31' ' ' LEU . 6.1 tt -66.82 -61.12 2.12 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.219 -0.926 . . . . 0.0 111.868 -175.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.33 -54.3 7.42 Favored Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.094 -1.004 . . . . 0.0 115.18 166.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.56 -40.43 78.9 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.268 -1.136 . . . . 0.0 113.867 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.766 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -54.14 -77.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.14 -0.975 . . . . 0.0 110.245 162.494 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 HD23 ' A' ' 27' ' ' LEU . 4.6 pp -54.99 -22.67 16.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.11 -0.994 . . . . 0.0 111.626 -165.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -77.71 -68.64 0.61 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.249 -0.907 . . . . 0.0 110.752 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.26 -74.81 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -157.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 p -65.61 147.07 54.01 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.231 -0.918 . . . . 0.0 109.774 -161.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.73 105.49 0.26 Allowed Glycine 0 CA--C 1.571 3.569 0 O-C-N 121.229 -0.919 . . . . 0.0 115.116 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.405 0 O-C-N 121.245 -1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.332 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.489 ' O ' HG13 ' B' ' 38' ' ' VAL . 10.4 p -146.43 78.03 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.86 154.06 49.56 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.183 -0.948 . . . . 0.0 109.7 -164.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -20.15 65.77 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 161.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.87 -28.05 66.35 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -38.26 88.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.235 -0.916 . . . . 0.0 112.668 166.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.72 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.256 -0.902 . . . . 0.0 110.267 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -37.67 80.06 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.88 -42.64 85.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.37 -0.831 . . . . 0.0 112.724 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.7 -41.4 95.12 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 166.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 13.9 tpt -63.98 -8.89 12.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.186 -0.946 . . . . 0.0 112.087 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.41 -31.23 11.02 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.263 -0.898 . . . . 0.0 110.282 170.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.07 -51.08 58.84 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.399 -0.813 . . . . 0.0 112.447 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -77.68 -39.96 43.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.27 -0.894 . . . . 0.0 112.915 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.24 144.12 57.37 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.257 -0.902 . . . . 0.0 112.674 -169.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -144.72 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.149 -0.97 . . . . 0.0 109.96 155.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -69.34 -1.43 8.22 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 m120 58.36 87.23 0.07 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.805 -1.185 . . . . 0.0 113.271 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -74.4 -44.5 51.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.186 -0.946 . . . . 0.0 112.728 158.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.0 -52.86 0.1 Allowed Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.092 -1.005 . . . . 0.0 115.068 167.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 177.52 7.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -1.138 . . . . 0.0 113.846 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.815 HD13 ' HE2' ' B' ' 66' ' ' MET . 51.4 mt -100.7 134.72 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.129 -0.982 . . . . 0.0 110.117 -159.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -111.38 173.03 6.54 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 124.402 1.081 . . . . 0.0 112.807 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.892 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 38.8 t80 -52.65 -31.7 38.28 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.867 -1.146 . . . . 0.0 112.119 -165.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -83.41 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.829 2.252 . . . . 0.0 111.508 168.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.78 ' HB2' HG23 ' B' ' 58' ' ' ILE . 15.4 mt-10 -25.56 -38.54 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.722 0 CA-C-N 113.778 -1.556 . . . . 0.0 113.684 166.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.686 ' HA ' ' HE3' ' B' ' 66' ' ' MET . 64.9 t80 -63.21 -50.66 69.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.039 -1.038 . . . . 0.0 112.121 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.557 HD23 HD22 ' A' ' 7' ' ' LEU . 52.8 mt -62.35 -39.5 93.34 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.524 1.13 . . . . 0.0 111.816 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -72.5 -39.0 67.99 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.051 -1.031 . . . . 0.0 109.381 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.815 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.6 ttm -70.48 -21.64 62.75 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 45.0 tpp -79.84 -61.72 1.9 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.292 -0.88 . . . . 0.0 110.547 166.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -73.25 -52.33 14.42 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.3 43.77 14.53 Favored Glycine 0 CA--C 1.571 3.551 0 O-C-N 121.234 -0.916 . . . . 0.0 115.107 154.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.404 ' O ' HG13 ' B' ' 70' ' ' VAL . 9.4 p -105.94 56.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.21 -1.171 . . . . 0.0 108.494 -155.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -154.47 0.33 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.238 -0.914 . . . . 0.0 111.948 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.254 -0.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.334 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.81 111.69 24.03 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.531 -0.731 . . . . 0.0 110.109 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -68.4 158.29 33.94 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.33 -0.856 . . . . 0.0 112.418 -172.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.3 mp0 -156.62 -26.43 0.1 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.236 -0.915 . . . . 0.0 111.787 -164.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -40.64 -44.48 2.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.64 -47.37 54.89 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.697 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -71.52 -36.72 71.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.152 -0.968 . . . . 0.0 111.752 175.606 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.449 ' O ' ' HD2' ' A' ' 12' ' ' ARG . . . -56.65 -60.99 2.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 168.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -34.55 -71.39 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.024 0.93 . . . . 0.0 113.244 160.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.09 72.9 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.622 ' HE2' ' HB2' ' B' ' 60' ' ' PHE . 1.8 t80 -68.24 -40.25 82.03 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.183 -0.948 . . . . 0.0 112.17 175.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 8' ' ' ALA . 32.1 mtt180 -59.01 -38.98 80.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 112.949 162.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -71.68 -33.88 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.358 1.063 . . . . 0.0 110.247 -168.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 30' ' ' ILE . 4.8 m-30 -60.53 -41.89 95.35 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.31 -0.869 . . . . 0.0 110.445 166.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.74 141.97 44.39 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.193 -0.942 . . . . 0.0 112.732 -161.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -127.79 30.6 5.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -162.389 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -173.42 -39.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 83.98 44.02 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 154.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -68.99 -21.58 64.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.206 -0.934 . . . . 0.0 112.595 154.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.0 -28.94 3.44 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.263 -0.898 . . . . 0.0 115.332 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.43 167.2 10.2 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.191 -1.182 . . . . 0.0 111.653 -167.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' HE1' ' A' ' 11' ' ' PHE . 2.1 mt -95.79 159.13 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.187 -0.945 . . . . 0.0 110.329 166.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -124.47 -178.25 4.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.241 -0.912 . . . . 0.0 112.753 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.53 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.6 -37.01 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.235 -0.915 . . . . 0.0 110.223 178.342 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.19 -33.8 73.92 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.7 -34.99 60.43 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' B' ' 43' ' ' ILE . 1.0 OUTLIER -43.44 -63.38 0.84 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 111.967 175.002 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.2 -47.03 85.13 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.078 -1.014 . . . . 0.0 115.171 -174.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 48.2 mm-40 -62.76 -35.79 80.95 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.257 -1.143 . . . . 0.0 113.885 173.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.436 HD11 HD13 ' A' ' 22' ' ' ILE . 11.9 mt -48.26 -65.18 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.029 -1.044 . . . . 0.0 110.178 162.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 32' ' ' ARG . 2.3 pp -64.73 -19.9 66.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 111.599 -164.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.664 ' HB2' HD12 ' A' ' 31' ' ' LEU . 14.2 ttm-85 -114.05 -14.2 12.41 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.067 -1.021 . . . . 0.0 111.044 -169.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -72.55 -32.81 66.37 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -82.83 115.19 21.62 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.202 -0.936 . . . . 0.0 109.723 -154.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.6 22.51 0.03 OUTLIER Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.284 -0.885 . . . . 0.0 115.012 157.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.22 -1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ACE . . . . . 0.428 ' C ' HG23 ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.236 0.347 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.428 HG23 ' C ' ' B' ' 37' ' ' ACE . 2.5 t 81.54 82.06 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.75 -172.22 2.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.193 -0.942 . . . . 0.0 109.772 -178.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.65 -48.77 16.0 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -167.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.57 -35.39 75.96 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.9 -50.67 72.87 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.185 -0.947 . . . . 0.0 112.652 171.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.53 HG22 HD11 ' A' ' 24' ' ' ILE . 11.4 mt -61.95 -38.0 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.158 -0.964 . . . . 0.0 110.239 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.5 75.82 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.76 -46.02 66.77 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.903 0.881 . . . . 0.0 112.69 170.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 tt -63.78 -46.5 84.93 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.5 ttt -63.97 -32.57 74.15 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.021 -1.049 . . . . 0.0 112.068 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -85.73 -8.69 58.01 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 110.542 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -67.09 -67.2 0.47 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.113 -1.617 . . . . 0.0 112.451 154.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.2 p -64.09 -41.99 97.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.956 -1.09 . . . . 0.0 112.822 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -53.73 133.59 42.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.193 -0.942 . . . . 0.0 112.706 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -95.48 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.979 -1.076 . . . . 0.0 110.154 158.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.75 -23.59 63.35 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.235 -0.916 . . . . 0.0 113.382 -154.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 59.32 80.92 0.18 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.174 -0.954 . . . . 0.0 113.277 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.73 14.8 2.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.942 . . . . 0.0 112.841 166.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.9 -19.91 24.91 Favored Glycine 0 CA--C 1.571 3.555 0 O-C-N 120.758 -1.214 . . . . 0.0 115.663 154.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 mtt85 -118.51 165.16 14.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.048 -1.266 . . . . 0.0 113.992 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.983 HG23 ' HB2' ' B' ' 62' ' ' GLU . 72.9 mt -112.52 135.81 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.173 -0.954 . . . . 0.0 110.496 170.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -122.68 179.17 4.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.015 -1.053 . . . . 0.0 112.837 168.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.622 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -53.87 -32.07 51.91 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.832 -1.168 . . . . 0.0 112.035 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.68 -83.86 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 124.91 2.29 . . . . 0.0 111.615 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.983 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.6 OUTLIER -25.53 -37.0 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.813 165.679 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.02 -52.68 61.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.207 -0.933 . . . . 0.0 111.885 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.697 HD23 HD12 ' A' ' 7' ' ' LEU . 57.2 mt -60.4 -29.03 68.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.338 1.055 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -43.79 20.09 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -16.17 5.27 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 173.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.22 -53.44 4.85 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.142 -0.974 . . . . 0.0 110.529 165.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.28 -38.32 84.88 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -167.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.03 -98.1 1.27 Allowed Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.15 -0.969 . . . . 0.0 115.105 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.5 t -113.75 161.38 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.225 -1.162 . . . . 0.0 108.497 161.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -46.35 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.175 -0.953 . . . . 0.0 111.955 171.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.425 0 O-C-N 121.244 -0.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 69.95 0.75 Allowed 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 123.558 0.743 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -59.42 118.15 5.67 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.295 -0.878 . . . . 0.0 112.48 159.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 3.9 mt-10 -52.42 -36.47 54.42 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.312 -0.867 . . . . 0.0 111.879 -164.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.2 tt0 -80.98 -37.19 29.72 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -159.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -32.8 69.76 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.47 HD11 ' OE2' ' B' ' 68' ' ' GLU . 4.0 mt -68.88 -20.26 64.26 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.039 0.935 . . . . 0.0 111.781 162.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -74.2 -48.51 28.57 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 168.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -56.61 -40.8 75.95 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.299 -0.875 . . . . 0.0 113.231 166.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.28 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 0.8 OUTLIER -69.12 -31.87 70.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.84 . . . . 0.0 112.082 175.641 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -64.73 -46.77 80.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.233 -0.917 . . . . 0.0 112.952 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -76.57 -31.43 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.382 1.073 . . . . 0.0 110.216 -165.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CD1' HD11 ' A' ' 30' ' ' ILE . 22.1 m-30 -61.76 -52.32 64.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.347 -0.845 . . . . 0.0 110.425 166.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -67.69 98.8 0.73 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.15 -0.968 . . . . 0.0 112.805 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -12.71 60.0 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.127 -0.983 . . . . 0.0 109.386 -163.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -101.08 -35.24 9.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 172.564 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 71.34 49.4 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 174.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.6 11.89 20.58 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.195 -0.941 . . . . 0.0 112.655 162.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.99 6.89 84.52 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.214 -0.929 . . . . 0.0 115.113 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -115.8 156.68 25.61 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.359 -1.083 . . . . 0.0 111.653 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.843 HG23 ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.77 150.68 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.119 -0.988 . . . . 0.0 110.273 162.556 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.19 162.15 19.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.258 -0.901 . . . . 0.0 112.69 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.98 -23.06 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.288 -0.882 . . . . 0.0 110.329 178.739 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -75.74 -35.5 60.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.904 -1.123 . . . . 0.0 113.722 173.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.843 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.05 -52.95 29.46 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.707 ' HG ' HD23 ' A' ' 31' ' ' LEU . 6.2 tp -39.65 -77.83 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 124.248 1.019 . . . . 0.0 111.834 174.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' HA2' HD21 ' A' ' 31' ' ' LEU . . . -51.45 -37.73 40.95 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.158 -0.964 . . . . 0.0 115.105 -170.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -56.97 -58.41 8.28 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.234 -1.156 . . . . 0.0 113.865 170.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.2 mt -51.6 -58.39 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.162 -0.961 . . . . 0.0 110.205 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.707 HD23 ' HG ' ' A' ' 27' ' ' LEU . 4.4 pp -63.35 -32.06 73.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.002 -1.061 . . . . 0.0 111.618 -170.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.57 ' CG ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.77 35.14 4.53 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.224 -0.923 . . . . 0.0 110.784 -169.186 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.63 140.38 47.45 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 167.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 34' ' ' THR . 4.7 t -164.0 35.15 0.08 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.295 -0.878 . . . . 0.0 109.81 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.17 -81.94 0.76 Allowed Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.3 -0.875 . . . . 0.0 115.086 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.404 0 O-C-N 121.251 -1.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.58 150.24 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.1 p -134.18 127.69 32.5 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.215 -0.928 . . . . 0.0 109.706 168.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -39.89 95.85 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.33 -39.61 89.36 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -65.65 0.53 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.194 -0.941 . . . . 0.0 112.648 165.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.562 HG23 HD23 ' A' ' 27' ' ' LEU . 1.6 mp -66.35 -38.02 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.046 -1.034 . . . . 0.0 110.28 -168.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.13 -34.11 65.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -65.79 -47.04 76.47 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.323 -0.861 . . . . 0.0 112.702 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.41 -43.86 97.81 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 169.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.39 13.17 2.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.071 -1.018 . . . . 0.0 112.074 169.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -102.0 -40.02 7.06 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.058 0.943 . . . . 0.0 109.925 157.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -67.59 -40.11 84.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.446 -0.784 . . . . 0.0 112.505 -171.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.7 m -104.35 -7.94 19.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.237 -0.914 . . . . 0.0 113.099 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.64 26.57 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.036 -1.04 . . . . 0.0 112.673 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -41.4 93.99 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.172 -0.955 . . . . 0.0 109.95 -164.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -73.54 5.04 4.14 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 m120 63.42 41.2 7.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.788 -1.195 . . . . 0.0 113.259 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -94.39 66.69 3.39 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.086 0.955 . . . . 0.0 112.684 156.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.49 -19.95 0.17 Allowed Glycine 0 CA--C 1.572 3.635 0 O-C-N 121.161 -0.962 . . . . 0.0 115.115 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 151.47 41.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.306 -1.114 . . . . 0.0 113.811 159.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.846 HG23 ' HB2' ' B' ' 62' ' ' GLU . 71.8 mt -108.37 148.42 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.097 -1.002 . . . . 0.0 110.187 -154.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.48 179.54 3.97 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.967 -1.083 . . . . 0.0 112.855 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.454 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 1.4 t80 -66.16 -32.24 73.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.905 -1.122 . . . . 0.0 112.044 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -83.87 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 124.947 2.308 . . . . 0.0 111.248 165.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.846 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.5 mm-40 -25.78 -37.87 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.712 0 CA-C-N 113.788 -1.551 . . . . 0.0 113.847 166.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 48.9 t80 -60.94 -50.77 72.06 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.211 -0.931 . . . . 0.0 111.884 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.34 -35.21 69.63 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 124.232 1.013 . . . . 0.0 111.897 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -42.25 70.57 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.095 -1.003 . . . . 0.0 109.383 172.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -75.6 -35.59 60.51 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -164.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.6 mtt -78.68 -70.3 0.51 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.217 -0.927 . . . . 0.0 110.564 157.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.47 ' OE2' HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -93.58 16.44 13.73 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -159.39 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.91 89.52 0.01 OUTLIER Glycine 0 CA--C 1.571 3.547 0 O-C-N 121.214 -0.929 . . . . 0.0 115.127 168.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.27 22.86 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.244 -1.151 . . . . 0.0 108.499 -169.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -74.67 92.48 2.45 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.191 -0.943 . . . . 0.0 112.009 -173.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.4 0 O-C-N 121.209 -0.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.387 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp 41.91 77.82 0.05 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.496 -0.753 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.42 29.48 2.54 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.264 -0.898 . . . . 0.0 112.319 155.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.936 ' HG2' HD21 ' B' ' 64' ' ' LEU 0.258 0.1 OUTLIER -44.82 91.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.255 -0.903 . . . . 0.0 111.844 170.004 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.1 tt0 -89.96 -68.26 0.79 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -168.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -26.78 59.09 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 168.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.9 66.14 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.051 0.94 . . . . 0.0 111.737 165.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -74.01 -57.17 4.15 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 173.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -31.71 -53.54 0.26 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.231 -0.918 . . . . 0.0 113.253 158.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.91 58.24 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.605 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 14.9 t80 -70.77 -34.59 71.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.222 -0.923 . . . . 0.0 112.092 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -32.09 35.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.189 -0.944 . . . . 0.0 112.92 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.65 -30.83 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.996 0.918 . . . . 0.0 110.333 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -71.66 -56.17 6.33 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.883 0.873 . . . . 0.0 110.341 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.39 130.25 42.32 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.24 -0.913 . . . . 0.0 112.804 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 26.68 6.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.967 . . . . 0.0 109.376 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 3.1 p30 -124.59 -32.53 3.11 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.52 43.73 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 156.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -71.92 -19.52 61.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 124.014 0.926 . . . . 0.0 112.698 160.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.23 -0.04 40.86 Favored Glycine 0 CA--C 1.571 3.562 0 N-CA-C 115.443 0.937 . . . . 0.0 115.443 -167.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.08 161.41 18.94 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.978 -1.307 . . . . 0.0 111.741 -171.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.41 137.04 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 124.059 0.944 . . . . 0.0 110.293 164.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -118.55 162.12 18.9 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.154 -0.966 . . . . 0.0 112.727 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' B' ' 47' ' ' MET . 1.2 tp -64.42 -36.03 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.147 -0.971 . . . . 0.0 110.19 -174.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.93 -30.24 63.73 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -78.45 -17.62 56.06 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 HD11 ' A' ' 31' ' ' LEU . 2.0 tm? -68.8 -69.19 0.34 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.27 -0.894 . . . . 0.0 111.939 -171.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.493 ' CA ' HD12 ' A' ' 31' ' ' LEU . . . -25.17 -68.51 0.04 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.218 -0.926 . . . . 0.0 115.186 161.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.8 -28.52 69.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.255 -1.144 . . . . 0.0 113.872 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -61.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.145 -0.972 . . . . 0.0 110.211 164.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.38 -20.69 20.57 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.169 -0.957 . . . . 0.0 111.332 174.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 43.3 3.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.359 -0.838 . . . . 0.0 110.814 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.06 -52.48 2.77 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 164.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -83.12 136.09 34.58 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.167 -0.958 . . . . 0.0 109.715 -171.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.27 134.26 7.69 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.242 -0.912 . . . . 0.0 115.081 157.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 O-C-N 121.24 -1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.372 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 p -114.29 135.24 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.462 ' O ' HD13 ' B' ' 43' ' ' ILE . 11.6 m -150.37 146.51 26.76 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.195 -0.941 . . . . 0.0 109.766 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.75 -27.49 61.2 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.78 -43.11 97.33 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.74 -43.44 62.92 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.221 -0.924 . . . . 0.0 112.67 167.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.462 HD13 ' O ' ' B' ' 39' ' ' THR . 1.3 mp -64.42 -36.13 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 110.251 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -40.16 91.59 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.05 -25.62 67.9 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.389 -0.819 . . . . 0.0 112.65 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.473 ' C ' HD13 ' B' ' 46' ' ' LEU . 3.3 tm? -73.53 -50.26 22.33 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.444 ' HG3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -92.06 13.17 19.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.873 -1.142 . . . . 0.0 112.072 -176.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -99.08 -45.13 6.04 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.014 0.925 . . . . 0.0 109.937 155.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.57 -47.31 70.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.699 . . . . 0.0 112.438 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -88.58 -20.48 24.95 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.257 -0.902 . . . . 0.0 112.865 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.89 -136.02 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.126 -0.984 . . . . 0.0 112.576 171.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 -118.14 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.619 -1.301 . . . . 0.0 109.94 156.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -73.92 12.18 0.74 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.275 . . . . 0.0 113.435 -170.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 m120 76.61 32.71 0.53 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.983 -1.073 . . . . 0.0 113.161 158.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -122.99 53.26 1.3 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.054 1.342 . . . . 0.0 112.579 154.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.9 49.16 0.86 Allowed Glycine 0 CA--C 1.571 3.538 0 N-CA-C 115.58 0.992 . . . . 0.0 115.58 -161.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 134.73 0.91 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.252 -1.146 . . . . 0.0 113.737 154.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.734 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.8 mt -90.96 144.42 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 C-N-CA 124.533 1.133 . . . . 0.0 110.265 -154.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -122.19 172.96 7.89 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.253 1.021 . . . . 0.0 112.697 165.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.585 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -58.24 -32.53 68.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.038 -1.039 . . . . 0.0 112.279 -160.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -78.94 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.702 0 O-C-N 120.747 -1.221 . . . . 0.0 113.525 162.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.734 ' HB2' HG23 ' B' ' 58' ' ' ILE . 32.8 mt-10 -36.71 -32.86 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 172.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.605 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 54.3 t80 -58.5 -49.75 76.22 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.394 -1.441 . . . . 0.0 111.836 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.936 HD21 ' HG2' ' A' ' 4' ' ' GLU . 25.8 mt -61.3 -28.33 69.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.749 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -80.21 -37.98 32.09 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.131 -0.98 . . . . 0.0 109.253 175.047 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 19.2 ttm -62.39 -53.18 58.7 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 31.7 tpp -62.93 -71.96 0.15 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.239 -0.913 . . . . 0.0 110.543 167.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.6 4.76 30.64 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -158.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -85.16 -29.68 27.43 Favored Glycine 0 CA--C 1.572 3.599 0 O-C-N 120.803 -1.185 . . . . 0.0 115.007 167.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.3 t -103.8 94.09 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.23 -1.159 . . . . 0.0 108.5 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.71 -84.24 0.13 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.182 -0.949 . . . . 0.0 112.074 -169.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.402 0 O-C-N 121.214 -0.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -86.16 118.85 25.88 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.545 -0.722 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 127.07 28.96 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.382 -0.824 . . . . 0.0 112.461 -170.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 8.4 pt-20 -107.1 -21.72 12.89 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.281 -0.887 . . . . 0.0 112.143 -171.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.66 -66.68 0.4 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.958 -1.089 . . . . 0.0 113.897 -164.637 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -26.9 68.68 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -172.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -22.28 50.51 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.047 0.939 . . . . 0.0 111.7 170.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.588 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -71.84 -58.52 3.39 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -38.28 -50.28 1.44 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.312 -0.868 . . . . 0.0 113.288 160.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.89 66.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -174.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' HE2' ' CA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -68.95 -37.71 79.0 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.052 0.941 . . . . 0.0 112.104 176.497 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -83.36 -4.27 58.31 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.146 -0.971 . . . . 0.0 112.957 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mm -82.3 -44.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.4 1.08 . . . . 0.0 110.14 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' HB3' HD11 ' A' ' 30' ' ' ILE . 6.4 m-30 -67.2 -30.92 70.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.357 -0.84 . . . . 0.0 110.353 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -82.06 129.8 34.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.267 -0.896 . . . . 0.0 112.876 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -87.33 -49.89 6.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.086 -1.009 . . . . 0.0 109.382 -169.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.496 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 31.5 t30 -99.07 -27.19 13.95 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.1 46.67 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 159.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -88.71 -3.34 58.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.993 0.917 . . . . 0.0 112.95 157.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.1 8.67 35.78 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 120.69 -1.256 . . . . 0.0 115.339 170.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.23 158.73 23.81 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.108 -1.231 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.56 HG23 ' OE2' ' A' ' 26' ' ' GLU . 7.7 mt -101.28 131.35 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.045 -1.034 . . . . 0.0 110.28 162.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.73 173.5 6.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.196 -0.94 . . . . 0.0 112.657 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -26.76 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.228 -0.92 . . . . 0.0 110.304 173.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -33.92 64.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.978 -1.076 . . . . 0.0 113.772 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' OE2' HG23 ' A' ' 22' ' ' ILE . 1.2 pp20? -71.42 -49.59 40.25 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.746 HD11 HD12 ' B' ' 46' ' ' LEU . 7.6 tt -39.38 -58.13 1.28 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.085 1.354 . . . . 0.0 112.022 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.96 58.92 Favored Glycine 0 CA--C 1.572 3.608 0 O-C-N 121.181 -0.949 . . . . 0.0 115.094 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -30.2 46.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.274 -1.133 . . . . 0.0 113.91 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.606 HD11 ' HB3' ' A' ' 14' ' ' PHE . 8.6 mt -59.18 -70.33 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.198 -0.939 . . . . 0.0 110.277 163.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.41 2.99 0.22 Allowed 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.104 -0.997 . . . . 0.0 111.483 -175.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -97.2 -50.32 4.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.242 -0.911 . . . . 0.0 110.89 163.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.96 -80.04 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -160.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.06 150.14 50.22 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.165 -0.959 . . . . 0.0 109.891 163.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.78 -83.91 0.01 OUTLIER Glycine 0 CA--C 1.572 3.604 0 O-C-N 121.232 -0.917 . . . . 0.0 115.114 168.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.405 0 O-C-N 121.22 -1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.437 ' O ' HG12 ' B' ' 38' ' ' VAL . 43.3 t 42.28 70.07 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.84 -169.72 2.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.174 -0.953 . . . . 0.0 109.742 -166.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -76.0 -39.97 54.64 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.06 -18.89 64.06 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -176.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.905 . . . . 0.0 112.638 162.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 27' ' ' LEU . 1.6 mp -65.73 -33.63 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.31 -0.868 . . . . 0.0 110.271 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.48 75.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 176.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -61.22 -32.82 72.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.259 -0.901 . . . . 0.0 112.622 165.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.746 HD12 HD11 ' A' ' 27' ' ' LEU . 2.8 tm? -79.27 -44.08 22.43 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 2.9 tpt -88.11 0.07 56.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.103 -0.998 . . . . 0.0 112.18 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -45.67 14.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.184 -0.948 . . . . 0.0 109.751 157.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.5 -28.77 68.12 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.579 -0.701 . . . . 0.0 112.469 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -93.31 -5.42 49.72 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.251 -0.906 . . . . 0.0 113.14 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.39 109.29 3.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.841 -1.162 . . . . 0.0 112.741 -174.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -68.81 -122.9 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.075 -1.016 . . . . 0.0 109.833 154.721 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -71.56 -58.92 3.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.939 -1.101 . . . . 0.0 113.212 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 59.24 97.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.227 -0.921 . . . . 0.0 113.22 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.12 -34.48 78.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.184 -0.948 . . . . 0.0 112.658 156.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.34 -30.48 0.09 OUTLIER Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.232 -0.917 . . . . 0.0 114.971 -171.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 173.99 14.47 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -1.108 . . . . 0.0 113.851 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.795 HG23 ' CB ' ' B' ' 62' ' ' GLU . 78.3 mt -109.41 154.43 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.138 -0.976 . . . . 0.0 110.183 -170.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -121.7 -160.88 0.88 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.687 158.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.703 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 2.3 t80 -72.32 -33.76 67.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.093 -1.004 . . . . 0.0 112.095 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -47.82 -82.8 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.22 0 CA-C-O 124.689 2.185 . . . . 0.0 111.305 167.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.795 ' CB ' HG23 ' B' ' 58' ' ' ILE . 1.5 mp0 -22.92 -47.5 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.536 163.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.03 -51.16 71.24 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 121.74 0.781 . . . . 0.0 112.158 -176.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -54.88 -34.69 63.28 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.732 1.613 . . . . 0.0 112.084 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -85.36 -34.32 21.83 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.978 -1.077 . . . . 0.0 109.338 -173.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.4 ttp -72.06 -29.46 64.17 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -97.22 -30.44 12.99 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.25 -0.906 . . . . 0.0 110.551 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -81.02 -52.07 7.81 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 170.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.4 -60.88 3.92 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.306 -0.871 . . . . 0.0 115.17 -161.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.24 117.85 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.328 -1.101 . . . . 0.0 108.489 163.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.55 151.47 26.41 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.225 -0.922 . . . . 0.0 111.869 162.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.399 0 O-C-N 121.188 -0.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.396 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.18 76.58 1.53 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.449 -0.782 . . . . 0.0 110.01 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -139.5 100.18 3.91 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.255 -0.903 . . . . 0.0 112.447 -175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 4.6 mt-10 -63.27 -19.62 64.73 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.224 -0.922 . . . . 0.0 112.189 163.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.44 -34.79 72.88 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.741 -1.224 . . . . 0.0 113.837 -154.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HG2' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.88 -48.14 82.47 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 166.338 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD23 ' HG2' ' A' ' 6' ' ' GLU . 2.4 mt -78.07 -17.53 56.89 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.277 1.031 . . . . 0.0 111.736 -174.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -53.04 10.82 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 164.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -44.23 -49.39 9.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 113.307 164.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' O ' ' HD2' ' A' ' 14' ' ' PHE . . . -72.1 -36.89 69.59 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 89.8 t80 -69.77 -33.01 71.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.273 -0.892 . . . . 0.0 112.251 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.55 -39.85 30.9 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.084 -1.01 . . . . 0.0 112.888 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -59.96 -35.21 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.288 -0.883 . . . . 0.0 110.268 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.548 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 19.6 m-85 -66.38 -46.43 76.69 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.263 -0.898 . . . . 0.0 110.471 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -65.83 116.94 7.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.172 -0.955 . . . . 0.0 112.761 -157.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -57.33 -39.18 75.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.014 -1.054 . . . . 0.0 109.209 -168.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -129.44 -15.35 4.07 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -157.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.26 46.45 0.43 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -13.51 62.24 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.283 -0.886 . . . . 0.0 112.643 160.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.46 5.3 82.13 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.292 -0.88 . . . . 0.0 115.043 -160.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.6 169.25 9.2 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.326 -1.103 . . . . 0.0 111.624 173.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.761 HG23 ' CD ' ' A' ' 26' ' ' GLU . 5.8 mt -114.8 132.59 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.07 -1.019 . . . . 0.0 110.245 165.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.16 176.91 5.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.114 -0.991 . . . . 0.0 112.717 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.517 HD13 ' HG2' ' B' ' 47' ' ' MET . 3.4 tp -66.78 -32.61 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.17 -0.956 . . . . 0.0 110.238 169.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.61 -18.58 51.26 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -172.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.761 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.45 -46.3 70.17 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 160.575 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.74 -50.86 61.4 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.286 -0.884 . . . . 0.0 111.875 -159.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.19 -56.73 1.14 Allowed Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.113 -0.992 . . . . 0.0 115.151 166.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' A' ' 33' ' ' ALA . 2.1 tp10 -58.74 -41.94 87.63 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.35 -1.088 . . . . 0.0 113.883 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.1 -55.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.229 -0.92 . . . . 0.0 110.26 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mt -54.83 -44.14 73.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.92 -1.112 . . . . 0.0 111.329 168.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -82.52 -77.45 0.23 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.331 -0.856 . . . . 0.0 110.778 -170.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . . . -43.22 139.14 1.99 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -170.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -77.04 -14.45 59.82 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.269 -0.894 . . . . 0.0 109.685 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 45.94 -103.4 0.05 OUTLIER Glycine 0 CA--C 1.571 3.579 0 O-C-N 121.268 -0.895 . . . . 0.0 115.09 160.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.41 0 O-C-N 121.252 -1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.329 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 38' ' ' VAL . 55.6 t 66.36 67.0 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.88 -90.91 0.07 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.237 -0.914 . . . . 0.0 109.697 -163.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -54.1 27.47 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -16.72 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.34 -38.55 55.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.19 -0.944 . . . . 0.0 112.674 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.78 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.202 -0.936 . . . . 0.0 110.229 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -32.63 74.25 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -81.26 -38.07 27.49 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.192 0.997 . . . . 0.0 112.629 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.52 -47.43 73.12 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 166.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.517 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -73.96 -27.62 61.09 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.014 -1.054 . . . . 0.0 111.983 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -74.88 -26.21 59.5 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.284 -0.885 . . . . 0.0 109.97 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -52.11 44.98 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.936 -1.102 . . . . 0.0 112.473 160.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -69.98 -26.96 64.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.284 -0.885 . . . . 0.0 112.892 -163.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -79.95 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.222 -0.924 . . . . 0.0 112.665 -162.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.08 -149.93 0.32 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.67 -168.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -56.43 -9.46 0.71 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.978 -1.076 . . . . 0.0 113.28 168.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 m120 78.16 108.49 0.07 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.201 -0.937 . . . . 0.0 113.204 154.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.23 -43.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.218 -0.926 . . . . 0.0 112.647 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.56 -53.86 0.07 OUTLIER Glycine 0 CA--C 1.571 3.562 0 O-C-N 121.178 -0.951 . . . . 0.0 115.234 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -113.39 162.41 16.13 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.263 -1.14 . . . . 0.0 113.915 -154.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.938 HG23 ' HB2' ' B' ' 62' ' ' GLU . 55.5 mt -108.21 149.33 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -115.33 -178.83 3.47 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 124.179 0.991 . . . . 0.0 112.81 166.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.484 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -63.98 -37.2 86.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.752 -1.218 . . . . 0.0 112.092 -168.109 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -77.69 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.68 0 O-C-N 120.6 -1.312 . . . . 0.0 113.53 163.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.938 ' HB2' HG23 ' B' ' 58' ' ' ILE . 49.7 mm-40 -34.07 -42.59 0.13 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -54.73 -45.96 74.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.723 -1.235 . . . . 0.0 111.974 177.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.515 ' CD2' HD12 ' A' ' 7' ' ' LEU . 51.8 mt -64.09 -43.44 95.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.268 -0.895 . . . . 0.0 111.8 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -20.13 25.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 -171.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttm -68.98 -47.39 65.7 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 163.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 24.1 ttm -59.82 -47.01 87.45 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.219 -0.925 . . . . 0.0 110.541 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.36 -71.76 0.25 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.11 25.36 69.49 Favored Glycine 0 CA--C 1.571 3.586 0 O-C-N 121.215 -0.928 . . . . 0.0 115.105 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.46 115.84 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.248 -1.149 . . . . 0.0 108.51 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -59.63 -45.63 91.42 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.281 -0.887 . . . . 0.0 111.749 -171.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.489 0 O-C-N 120.967 -1.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -164.77 93.6 0.65 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 123.669 0.788 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.26 93.99 2.64 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.999 0.92 . . . . 0.0 112.478 -160.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.2 pt-20 -108.83 -31.9 7.51 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.283 -0.885 . . . . 0.0 111.884 -174.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.05 -57.69 11.08 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -163.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.6 -22.45 62.54 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.728 HD12 ' CD2' ' B' ' 64' ' ' LEU . 4.4 mt -87.85 -21.42 25.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 111.766 174.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.7 -51.58 18.75 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 165.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -51.03 -42.82 60.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.236 -0.915 . . . . 0.0 113.212 163.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -68.96 -38.65 79.55 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 177.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.855 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 45.3 t80 -75.38 -33.4 61.01 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.247 -0.908 . . . . 0.0 112.196 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.33 -62.5 1.68 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.149 -0.97 . . . . 0.0 112.925 158.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -59.49 -30.35 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 -165.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.816 ' CE2' HG21 ' A' ' 30' ' ' ILE . 5.7 m-30 -57.16 -58.17 9.37 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 124.022 0.929 . . . . 0.0 110.465 170.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.53 134.89 46.79 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 112.812 -168.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' OE1' ' A' ' 26' ' ' GLU . 3.0 mmmm -82.12 -38.1 25.29 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.124 -0.985 . . . . 0.0 109.391 -168.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.7 m120 -108.83 -21.15 12.8 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 77.51 43.22 0.11 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 161.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.88 -15.62 61.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.199 -0.938 . . . . 0.0 112.804 157.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.96 20.54 46.14 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.073 -1.017 . . . . 0.0 115.111 -175.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.3 161.26 20.73 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.288 -1.125 . . . . 0.0 111.713 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.46 161.11 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.236 -0.915 . . . . 0.0 110.282 165.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -120.53 163.87 17.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.093 -1.004 . . . . 0.0 112.644 169.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.697 HD13 ' HG3' ' B' ' 47' ' ' MET . 0.2 OUTLIER -57.51 -36.3 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.308 -0.87 . . . . 0.0 110.154 175.025 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.29 -33.34 69.63 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.661 ' O ' HD12 ' A' ' 30' ' ' ILE . 18.6 mt-10 -77.84 -37.53 48.24 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 173.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.686 HD23 HG23 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -43.92 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.224 -0.922 . . . . 0.0 111.903 -179.021 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.74 -40.72 6.78 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.114 -0.991 . . . . 0.0 115.153 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.53 -29.92 56.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.273 -1.133 . . . . 0.0 113.884 -177.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.816 HG21 ' CE2' ' A' ' 14' ' ' PHE . 6.0 mt -52.94 -64.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.25 -0.906 . . . . 0.0 110.199 161.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.54 -47.54 63.37 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 121.089 -1.007 . . . . 0.0 111.403 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -31.96 14.93 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -164.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -89.04 149.38 23.26 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -135.29 95.06 3.21 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.231 -0.918 . . . . 0.0 109.865 -165.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.05 -174.2 26.19 Favored Glycine 0 CA--C 1.571 3.579 0 O-C-N 121.23 -0.919 . . . . 0.0 115.097 -169.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.23 -1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.95 92.31 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.5 -169.31 2.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.211 -0.931 . . . . 0.0 109.715 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.24 -48.81 55.33 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 169.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -33.36 71.62 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.17 -41.11 50.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.185 -0.947 . . . . 0.0 112.647 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.686 HG23 HD23 ' A' ' 27' ' ' LEU . 6.0 mt -52.31 -51.61 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.11 -0.994 . . . . 0.0 110.134 170.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -36.13 79.37 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.52 -32.56 72.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.31 -0.869 . . . . 0.0 112.683 173.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.59 -45.98 91.82 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 164.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.697 ' HG3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -82.88 -3.69 57.2 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.128 -0.982 . . . . 0.0 112.181 -176.238 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 -45.16 7.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.211 -0.931 . . . . 0.0 109.854 162.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.44 -40.57 85.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.599 -0.688 . . . . 0.0 112.449 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -79.63 -15.9 56.78 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.323 -0.861 . . . . 0.0 112.959 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.65 -176.34 1.93 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.147 -0.971 . . . . 0.0 112.701 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 -124.17 0.09 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.161 -0.962 . . . . 0.0 109.892 -162.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -77.73 19.41 0.39 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 m120 79.54 36.74 0.14 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.277 1.031 . . . . 0.0 113.149 156.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 64.21 8.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.25 -0.906 . . . . 0.0 112.481 154.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -40.91 -37.72 1.46 Allowed Glycine 0 CA--C 1.572 3.604 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 -160.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.47 136.21 55.36 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.177 -1.19 . . . . 0.0 113.783 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.751 HG23 ' CB ' ' B' ' 62' ' ' GLU . 63.0 mt -103.19 152.39 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.156 -0.965 . . . . 0.0 110.156 -155.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.73 -174.75 2.75 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.126 -0.984 . . . . 0.0 112.745 169.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -47.79 82.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.95 -1.094 . . . . 0.0 112.183 -164.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -77.72 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.779 0 O-C-N 120.953 -1.092 . . . . 0.0 113.843 166.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.751 ' CB ' HG23 ' B' ' 58' ' ' ILE . 0.8 OUTLIER -26.82 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.68 1.192 . . . . 0.0 113.778 172.098 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.855 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 1.8 t80 -55.68 -55.13 35.84 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.408 -0.807 . . . . 0.0 112.309 176.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.728 ' CD2' HD12 ' A' ' 7' ' ' LEU . 30.6 mt -57.37 -33.36 67.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.206 -0.934 . . . . 0.0 111.771 -173.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -40.27 15.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 176.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -57.44 -20.44 30.36 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 172.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.518 ' CE ' HD13 ' A' ' 7' ' ' LEU . 7.7 ttp -97.0 -45.52 6.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.234 -0.916 . . . . 0.0 110.545 174.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.49 -33.86 54.37 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.76 -170.21 4.0 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.201 -0.937 . . . . 0.0 115.106 -170.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.33 147.27 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.227 -1.16 . . . . 0.0 108.513 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.05 137.71 55.24 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.129 -0.982 . . . . 0.0 111.983 163.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.381 0 O-C-N 121.279 -0.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -145.77 173.0 12.48 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.747 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -54.41 100.69 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.314 -0.866 . . . . 0.0 112.364 170.17 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 3' ' ' SER 0.257 1.6 mt-10 -154.38 -34.88 0.1 Allowed 'General case' 0 CA--C 1.576 1.944 0 O-C-N 121.28 -0.887 . . . . 0.0 111.972 -166.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 6' ' ' GLU . 18.3 tt0 -22.15 -61.84 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 125.953 1.701 . . . . 0.0 115.192 -163.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -91.64 -12.59 33.76 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.929 -1.107 . . . . 0.0 113.941 -164.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 1.7 mt -86.52 -24.47 25.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.072 -1.017 . . . . 0.0 111.707 164.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.33 70.84 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 163.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.79 -39.38 91.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.201 -0.937 . . . . 0.0 113.313 166.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -61.21 -41.89 97.64 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 87.7 t80 -73.94 -37.19 64.64 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 112.05 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.792 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -71.51 -40.16 70.31 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.286 -0.884 . . . . 0.0 112.959 170.173 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.4 -29.95 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.148 -0.97 . . . . 0.0 110.304 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' A' ' 30' ' ' ILE . 2.4 m-30 -68.39 -43.55 77.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.259 -0.9 . . . . 0.0 110.347 174.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -70.7 107.09 3.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.162 -0.961 . . . . 0.0 112.84 -166.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.12 20.08 6.25 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.181 -0.949 . . . . 0.0 110.192 -172.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.48 -19.08 0.48 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.28 45.09 3.02 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 159.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.07 -22.64 42.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.2 -0.937 . . . . 0.0 112.612 154.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.74 -19.56 4.71 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.23 -0.919 . . . . 0.0 115.342 -171.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -105.85 167.75 9.57 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.272 -1.134 . . . . 0.0 111.749 -157.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.505 HG23 ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -101.22 128.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -0.916 . . . . 0.0 110.262 158.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -110.82 177.58 4.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.153 -0.967 . . . . 0.0 112.758 -168.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.11 -31.39 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.18 -0.95 . . . . 0.0 110.293 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -29.41 54.43 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.34 -50.78 43.18 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.178 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD22 HD23 ' A' ' 31' ' ' LEU . 1.8 tm? -38.68 -55.49 1.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.409 1.484 . . . . 0.0 112.102 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.87 -36.99 12.16 Favored Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.094 -1.004 . . . . 0.0 115.095 -167.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.64 -45.6 89.47 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.191 -1.182 . . . . 0.0 113.881 169.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' A' ' 14' ' ' PHE . 1.4 mm -62.33 -65.43 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.153 -0.967 . . . . 0.0 110.274 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.552 HD23 HD22 ' A' ' 27' ' ' LEU . 3.3 pp -49.48 -22.86 1.32 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.217 -0.927 . . . . 0.0 111.539 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -84.18 -81.45 0.18 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.249 -0.907 . . . . 0.0 110.796 166.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.92 -159.39 0.21 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -160.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -149.57 152.54 35.68 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 124.328 1.051 . . . . 0.0 109.837 173.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.02 -75.59 0.05 OUTLIER Glycine 0 CA--C 1.572 3.613 0 O-C-N 121.211 -0.93 . . . . 0.0 115.104 164.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.414 0 O-C-N 121.23 -1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 60.84 81.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.455 HG23 ' OD2' ' B' ' 42' ' ' ASP . 0.5 OUTLIER -81.21 156.08 25.83 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.196 -0.94 . . . . 0.0 109.668 -172.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.56 -40.43 42.48 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.3 -25.7 64.36 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.455 ' OD2' HG23 ' B' ' 39' ' ' THR . 60.6 m-20 -50.6 -60.95 2.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.188 -0.945 . . . . 0.0 112.615 162.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.37 -41.19 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.017 -1.052 . . . . 0.0 110.283 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -36.03 60.3 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -171.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.04 -26.58 65.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.314 -0.866 . . . . 0.0 112.66 166.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 tp -74.73 -46.35 37.97 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 172.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.02 50.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.053 -1.029 . . . . 0.0 112.051 169.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -91.51 -27.89 17.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.296 -0.878 . . . . 0.0 110.26 168.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -67.03 -57.74 6.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.114 -0.991 . . . . 0.0 112.388 171.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.6 m -67.79 -38.42 83.33 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.157 -0.965 . . . . 0.0 112.905 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.02 149.45 46.59 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.193 -0.942 . . . . 0.0 112.678 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -109.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.116 -0.99 . . . . 0.0 110.036 159.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -71.9 -20.33 61.8 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.881 -1.137 . . . . 0.0 113.426 -154.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 m120 63.95 72.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.214 -0.929 . . . . 0.0 113.274 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 8.18 37.88 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.235 -0.916 . . . . 0.0 112.899 157.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.35 -6.54 55.85 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 120.532 -1.355 . . . . 0.0 115.383 162.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -157.29 141.65 16.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.05 -1.265 . . . . 0.0 113.851 -164.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.88 HG23 ' HB2' ' B' ' 62' ' ' GLU . 73.9 mt -108.53 126.41 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.141 -0.974 . . . . 0.0 110.191 -163.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -98.65 176.86 5.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.082 -1.011 . . . . 0.0 112.759 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.566 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 67.1 t80 -65.17 -33.76 76.77 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.993 -1.067 . . . . 0.0 112.029 -161.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.677 0 O-C-N 120.66 -1.275 . . . . 0.0 113.541 159.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.88 ' HB2' HG23 ' B' ' 58' ' ' ILE . 24.9 mt-10 -44.41 -20.46 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 6.2 t80 -63.4 -58.03 8.38 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.728 -1.858 . . . . 0.0 112.023 163.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.95 -23.05 51.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.23 -0.919 . . . . 0.0 111.705 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -92.17 -35.14 14.01 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.182 -0.949 . . . . 0.0 109.475 172.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.9 ttt -59.86 -12.71 8.13 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.409 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 3.8 mtt -87.6 -54.75 4.11 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.998 0.919 . . . . 0.0 110.562 154.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.18 -13.12 53.64 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -156.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.42 -95.98 0.02 OUTLIER Glycine 0 CA--C 1.571 3.541 0 O-C-N 121.256 -0.903 . . . . 0.0 115.152 -168.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.82 103.32 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.187 -1.184 . . . . 0.0 108.533 -158.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -150.52 -91.17 0.06 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.195 -0.941 . . . . 0.0 112.066 -163.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.407 0 O-C-N 121.18 -0.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.352 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.54 108.6 0.08 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.487 -0.758 . . . . 0.0 110.039 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.6 -154.13 0.53 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.283 -0.886 . . . . 0.0 112.427 -155.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.255 3.0 mp0 -137.07 24.45 3.02 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.231 -0.918 . . . . 0.0 111.771 -161.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.24 -62.19 1.79 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -160.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.52 -21.43 18.88 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.41 -25.45 62.34 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.241 1.017 . . . . 0.0 111.823 163.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -50.7 17.9 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -46.1 -46.65 17.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.216 -0.928 . . . . 0.0 113.309 161.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.13 61.45 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.815 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 67.7 t80 -70.01 -32.19 70.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.344 -0.848 . . . . 0.0 112.023 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -39.31 61.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.021 0.928 . . . . 0.0 112.99 168.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -56.65 -37.54 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.102 -0.999 . . . . 0.0 110.269 174.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 2.6 m-30 -62.78 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.259 -0.901 . . . . 0.0 110.385 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -48.86 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.207 -0.933 . . . . 0.0 112.85 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 22.32 0.81 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.147 -0.97 . . . . 0.0 109.755 -163.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -147.04 -33.4 0.29 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.314 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.03 55.51 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 154.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -72.81 -6.18 43.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.214 -0.929 . . . . 0.0 112.944 154.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.36 10.6 44.29 Favored Glycine 0 CA--C 1.572 3.62 0 O-C-N 120.682 -1.261 . . . . 0.0 115.356 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -113.98 165.62 12.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.093 -1.239 . . . . 0.0 111.614 175.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.62 161.23 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 C-N-CA 124.269 1.027 . . . . 0.0 110.222 161.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -135.37 166.64 22.69 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 112.723 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' B' ' 44' ' ' GLU . 0.8 OUTLIER -78.18 -27.12 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.288 -0.883 . . . . 0.0 110.278 -173.135 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.52 -36.19 78.53 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.087 -1.008 . . . . 0.0 113.695 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 30' ' ' ILE . 76.1 mt-10 -71.42 -23.86 61.93 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 175.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.934 HD23 HG23 ' B' ' 43' ' ' ILE . 8.2 tp -59.9 -34.35 73.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.165 -0.96 . . . . 0.0 111.923 -170.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.25 -27.59 36.2 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.095 -1.003 . . . . 0.0 115.074 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -79.78 -40.36 28.85 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.271 -1.134 . . . . 0.0 113.862 171.017 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.435 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -41.36 -63.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.01 -1.057 . . . . 0.0 110.11 159.261 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.5 pp -80.96 -12.92 59.3 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.724 -165.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.57 32.82 5.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.211 -0.931 . . . . 0.0 110.831 172.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -90.26 163.16 14.88 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 165.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.5 m -134.66 93.81 3.09 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.21 -0.931 . . . . 0.0 109.887 164.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.69 116.52 0.72 Allowed Glycine 0 CA--C 1.572 3.619 0 O-C-N 121.181 -0.949 . . . . 0.0 115.105 166.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.406 0 O-C-N 121.264 -1.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.371 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 6.8 p -160.87 123.41 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.99 -163.58 1.66 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.181 -0.95 . . . . 0.0 109.725 161.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -15.78 13.98 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 155.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.89 -34.48 78.05 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.18 -37.67 32.81 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.258 -0.901 . . . . 0.0 112.668 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.934 HG23 HD23 ' A' ' 27' ' ' LEU . 3.6 mm -58.84 -45.99 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.166 -0.959 . . . . 0.0 110.189 168.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.18 -37.8 86.5 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -175.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' B' ' 48' ' ' LYS . 1.2 m-20 -70.73 -34.86 72.34 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.872 0.869 . . . . 0.0 112.664 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.816 HD22 HD21 ' A' ' 27' ' ' LEU . 8.1 tt -56.67 -48.24 78.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.416 ' CE ' HG13 ' B' ' 58' ' ' ILE . 5.8 ttt -99.09 15.26 26.46 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.874 -1.142 . . . . 0.0 112.116 -171.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' B' ' 45' ' ' ASP . 0.0 OUTLIER -102.13 -34.43 9.29 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.982 0.913 . . . . 0.0 109.97 156.106 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.21 -40.58 86.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.639 -0.663 . . . . 0.0 112.489 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.71 -33.01 20.15 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 112.887 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -82.56 106.59 14.54 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.189 -0.945 . . . . 0.0 112.687 -157.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.64 26.6 8.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 155.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -81.22 18.75 1.03 Allowed 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 162.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m120 62.51 105.9 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 124.25 1.02 . . . . 0.0 113.022 -167.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -18.21 33.98 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.284 1.034 . . . . 0.0 112.767 -154.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -41.2 -57.53 3.05 Favored Glycine 0 CA--C 1.571 3.578 0 O-C-N 121.189 -0.944 . . . . 0.0 115.11 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -162.57 154.13 18.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.226 -1.161 . . . . 0.0 114.122 -167.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.867 HG23 ' HB2' ' B' ' 62' ' ' GLU . 14.7 mt -106.48 161.74 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 124.199 1.0 . . . . 0.0 110.249 -178.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -137.8 -175.22 4.01 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.014 -1.054 . . . . 0.0 112.837 172.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.473 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -64.46 -30.68 71.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.774 -1.204 . . . . 0.0 112.066 -162.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -48.05 -84.09 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 125.016 2.341 . . . . 0.0 111.245 167.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.868 ' HA ' ' HG2' ' B' ' 65' ' ' LYS . 17.5 mm-40 -26.35 -35.49 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 113.818 -1.537 . . . . 0.0 113.845 167.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.815 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 55.1 t80 -59.29 -55.96 28.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.991 -1.068 . . . . 0.0 111.691 173.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.6 mt -50.44 -40.08 49.46 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.651 1.18 . . . . 0.0 111.8 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.868 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -84.26 -33.18 24.09 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.982 -1.074 . . . . 0.0 109.423 -170.354 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.3 ttp -81.85 -23.89 36.12 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptm -89.2 -28.74 19.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.253 -0.904 . . . . 0.0 110.585 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -89.22 -32.14 17.57 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.94 93.69 1.28 Allowed Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.061 -1.024 . . . . 0.0 115.113 160.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -95.4 -172.84 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.227 -1.161 . . . . 0.0 108.535 172.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -29.78 -87.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.272 -0.892 . . . . 0.0 111.977 158.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.414 0 O-C-N 121.176 -0.952 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.323 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -78.6 106.17 10.39 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.519 -0.738 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -77.58 113.34 15.31 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.298 -0.876 . . . . 0.0 112.387 -171.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 1.9 mt-10 -80.14 -24.69 40.26 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.221 -0.924 . . . . 0.0 111.95 -170.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -56.65 5.7 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -156.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.09 -50.07 72.05 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -37.54 49.42 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.216 -0.927 . . . . 0.0 111.691 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -60.27 2.33 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -41.9 -48.84 4.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.318 -0.864 . . . . 0.0 113.293 169.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.81 84.5 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.441 ' HE2' ' O ' ' A' ' 20' ' ' GLY . 74.0 t80 -71.58 -30.67 66.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.294 -0.879 . . . . 0.0 112.138 -175.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -77.11 -38.48 52.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 112.929 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.28 -27.03 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.281 -0.887 . . . . 0.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -76.7 -47.78 20.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.285 -0.885 . . . . 0.0 110.396 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -73.24 96.11 2.22 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.219 -0.925 . . . . 0.0 112.837 -165.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 26.07 4.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.192 -0.942 . . . . 0.0 109.528 -168.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -129.43 -37.86 1.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.94 41.03 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 154.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.48 -23.6 67.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.209 -0.932 . . . . 0.0 112.658 155.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' HE2' ' A' ' 11' ' ' PHE . . . 135.1 -40.18 1.59 Allowed Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.235 -0.916 . . . . 0.0 115.213 -166.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.37 162.63 31.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.351 -1.088 . . . . 0.0 111.788 -160.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -104.5 148.96 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.873 1.269 . . . . 0.0 110.215 -165.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -127.13 164.76 20.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.101 -0.999 . . . . 0.0 112.73 -177.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -23.1 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.297 -0.877 . . . . 0.0 110.299 -175.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.12 -36.92 55.14 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 171.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.698 ' O ' HD13 ' A' ' 30' ' ' ILE . 78.2 mt-10 -68.63 -25.28 64.77 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.612 ' C ' HD13 ' A' ' 27' ' ' LEU . 2.5 tm? -65.07 -58.6 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.216 -0.928 . . . . 0.0 111.833 -170.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.67 -37.21 33.65 Favored Glycine 0 CA--C 1.571 3.594 0 O-C-N 121.118 -0.988 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 10.3 mt-10 -79.55 -22.24 44.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.233 -1.157 . . . . 0.0 113.881 -177.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.53 -67.01 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -0.959 . . . . 0.0 110.23 155.385 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD21 HG12 ' B' ' 43' ' ' ILE . 3.7 pp -69.48 -20.01 63.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.099 -1.001 . . . . 0.0 111.75 -167.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -129.89 27.33 5.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.166 -0.959 . . . . 0.0 110.841 178.464 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -51.62 -85.67 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 165.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 p -89.56 142.74 27.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.216 -0.928 . . . . 0.0 109.716 -173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -107.24 -137.62 8.53 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.254 -0.904 . . . . 0.0 115.088 166.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.241 -1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.342 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p 41.07 84.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 19.8 p -115.01 -166.94 1.16 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.191 -0.943 . . . . 0.0 109.748 -168.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -77.47 -23.92 50.31 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -170.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -19.62 64.83 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 172.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -72.03 -43.76 64.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.243 -0.911 . . . . 0.0 112.686 166.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.571 HG12 HD21 ' A' ' 31' ' ' LEU . 2.0 mp -53.05 -55.52 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.043 -1.036 . . . . 0.0 110.124 169.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -36.27 83.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.076 -1.015 . . . . 0.0 113.723 -173.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.74 -36.58 84.35 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.292 -0.88 . . . . 0.0 112.683 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.84 -46.15 72.61 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.699 ' C ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -83.96 -18.74 36.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.053 -1.029 . . . . 0.0 112.1 -174.415 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.699 ' HE3' ' C ' ' B' ' 47' ' ' MET . 0.0 OUTLIER -84.69 -39.13 18.92 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 109.81 173.45 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.535 -0.728 . . . . 0.0 112.465 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 32.2 t -65.34 -58.35 6.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.25 -0.906 . . . . 0.0 112.884 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.18 154.06 13.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.24 -0.912 . . . . 0.0 112.648 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 -122.89 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.209 -0.932 . . . . 0.0 109.939 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -70.2 5.99 1.47 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.024 -1.048 . . . . 0.0 113.546 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 67.79 81.73 0.19 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.88 -1.137 . . . . 0.0 113.252 165.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.97 -38.78 22.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.211 -0.931 . . . . 0.0 112.652 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.85 7.9 0.7 Allowed Glycine 0 CA--C 1.571 3.57 0 O-C-N 121.211 -0.931 . . . . 0.0 115.366 159.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.4 167.07 22.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.209 -1.171 . . . . 0.0 114.046 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' B' ' 62' ' ' GLU . 73.4 mt -114.44 129.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.096 0.958 . . . . 0.0 110.29 160.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -120.96 175.78 5.89 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.309 -1.494 . . . . 0.0 112.794 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.09 -33.77 69.44 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.76 -1.213 . . . . 0.0 111.992 -155.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -78.24 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 O-C-N 120.779 -1.201 . . . . 0.0 113.702 161.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.653 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.9 mt-10 -35.64 -30.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.627 ' HD1' ' CE ' ' B' ' 66' ' ' MET . 22.1 t80 -62.44 -50.55 71.05 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.35 -1.469 . . . . 0.0 111.848 172.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.45 -23.83 67.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.294 -0.879 . . . . 0.0 111.809 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -87.35 -53.54 4.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.148 -0.97 . . . . 0.0 109.357 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.627 ' CE ' ' HD1' ' B' ' 63' ' ' PHE . 0.9 OUTLIER -41.05 -42.06 1.85 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 177.482 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 32.9 ttm -96.91 -52.47 3.86 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.29 -0.881 . . . . 0.0 110.611 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -127.43 34.46 4.69 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -165.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.58 169.74 40.65 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.295 -0.878 . . . . 0.0 115.116 163.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -86.27 160.73 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.271 -1.135 . . . . 0.0 108.527 -162.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -146.92 -92.23 0.09 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.293 -0.88 . . . . 0.0 112.02 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.217 -0.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.391 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.4 92.04 8.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.479 -0.763 . . . . 0.0 110.034 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.72 158.45 26.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.183 -0.948 . . . . 0.0 112.532 177.699 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 26.9 mp0 -132.28 26.81 4.49 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.266 -0.896 . . . . 0.0 111.791 -179.289 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.76 -55.86 29.59 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -91.27 -21.78 20.9 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 2.5 mt -81.52 -22.09 38.16 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.075 0.95 . . . . 0.0 111.709 169.258 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.67 29.79 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 167.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -54.77 -38.14 66.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.262 -0.899 . . . . 0.0 113.268 158.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -75.33 -47.65 26.77 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.805 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 52.3 t80 -65.85 -34.93 79.27 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 123.698 0.799 . . . . 0.0 112.143 175.331 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -66.9 -48.34 69.01 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.296 1.038 . . . . 0.0 112.952 170.512 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -67.91 -32.14 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 C-N-CA 124.173 0.989 . . . . 0.0 110.288 -169.896 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.39 -62.97 1.39 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 165.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -47.65 144.43 3.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.099 -1.001 . . . . 0.0 112.822 -169.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -119.4 38.92 3.73 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.095 -1.003 . . . . 0.0 109.206 -173.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.13 -26.71 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 170.001 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.86 40.43 0.19 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 160.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -93.09 9.59 35.22 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.264 -0.897 . . . . 0.0 112.84 156.275 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 23.31 60.79 Favored Glycine 0 CA--C 1.572 3.619 0 O-C-N 120.928 -1.107 . . . . 0.0 115.067 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -114.14 168.87 9.45 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.185 -1.185 . . . . 0.0 111.702 169.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.655 HG23 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -131.94 116.32 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 C-N-CA 124.303 1.041 . . . . 0.0 110.213 174.731 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.06 162.27 13.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.921 -1.112 . . . . 0.0 112.72 -168.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 6.4 tt -51.98 -32.34 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.0 110.052 168.775 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.35 -19.62 56.03 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.655 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.82 -49.37 62.61 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 164.143 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tp -42.03 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.648 1.579 . . . . 0.0 112.099 -169.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.31 -39.73 7.42 Favored Glycine 0 CA--C 1.571 3.577 0 O-C-N 121.143 -0.973 . . . . 0.0 115.155 -162.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.86 -34.99 44.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.273 -1.134 . . . . 0.0 113.9 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mm -50.6 -72.66 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.172 159.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 32' ' ' ARG . 3.1 pp -55.33 -27.24 45.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 111.587 -167.369 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.1 tpm_? -86.29 -73.86 0.44 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.262 -0.899 . . . . 0.0 110.86 178.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.09 -12.52 61.01 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -155.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 m -61.04 114.9 3.35 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.262 -0.899 . . . . 0.0 109.806 -173.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.04 128.63 1.0 Allowed Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.195 -0.94 . . . . 0.0 115.137 -163.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.4 0 O-C-N 121.242 -1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.419 HG12 HD11 ' B' ' 43' ' ' ILE . 19.8 t -83.58 110.22 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.682 ' O ' HD13 ' B' ' 43' ' ' ILE . 23.2 p -106.39 -174.68 2.59 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.224 -0.922 . . . . 0.0 109.766 -179.561 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -38.39 78.09 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 168.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -68.81 -45.03 72.28 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -56.63 -40.19 74.98 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.204 -0.935 . . . . 0.0 112.671 168.5 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.682 HD13 ' O ' ' B' ' 39' ' ' THR . 1.3 mp -60.13 -61.6 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.228 -0.92 . . . . 0.0 110.179 176.231 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -29.72 70.77 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -172.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -73.31 -29.4 62.67 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.96 0.904 . . . . 0.0 112.703 172.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.547 HD13 ' C ' ' B' ' 46' ' ' LEU . 3.0 tm? -73.14 -47.68 41.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 173.67 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.463 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 15.3 tpt -64.28 -40.36 95.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.027 -1.046 . . . . 0.0 112.109 175.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -23.44 36.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.187 -173.579 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -67.09 -47.58 70.81 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.614 -1.304 . . . . 0.0 112.501 162.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.1 t -69.41 -35.17 75.49 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.097 -1.002 . . . . 0.0 112.718 -166.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -74.51 160.78 30.47 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.171 -0.956 . . . . 0.0 112.68 -170.078 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -63.7 -135.79 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.177 -0.952 . . . . 0.0 109.812 162.845 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 6.06 1.42 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.69 -1.256 . . . . 0.0 113.493 -165.802 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 70.93 58.19 0.2 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.849 -1.157 . . . . 0.0 113.265 165.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.14 -55.14 11.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 112.629 159.128 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.01 -24.44 0.25 Allowed Glycine 0 CA--C 1.571 3.587 0 O-C-N 121.216 -0.927 . . . . 0.0 115.135 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.72 157.78 20.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.288 -1.125 . . . . 0.0 113.874 -162.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.76 HG23 ' HB2' ' B' ' 62' ' ' GLU . 80.4 mt -108.52 146.75 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.205 -0.934 . . . . 0.0 110.228 176.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -109.25 -173.8 2.35 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.129 0.972 . . . . 0.0 112.785 174.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.554 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -71.05 -41.24 71.02 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.76 -1.213 . . . . 0.0 112.01 -170.429 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -79.49 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 O-C-N 120.575 -1.328 . . . . 0.0 113.514 162.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.76 ' HB2' HG23 ' B' ' 58' ' ' ILE . 12.9 mt-10 -37.4 -30.43 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.352 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.805 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 58.9 t80 -58.44 -54.96 41.17 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.212 -1.555 . . . . 0.0 111.921 170.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.7 mt -53.86 -34.49 59.53 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 124.031 0.932 . . . . 0.0 111.695 176.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -78.93 -54.21 6.28 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.216 -0.928 . . . . 0.0 109.296 178.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' B' ' 66' ' ' MET . 1.8 ttm -45.91 -20.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 172.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 47.8 ttm -93.35 -71.7 0.64 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.119 -0.988 . . . . 0.0 110.527 175.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.32 -21.76 49.12 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -167.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.44 -92.25 0.01 OUTLIER Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.258 -0.901 . . . . 0.0 115.081 -169.318 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.1 117.4 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.22 -1.165 . . . . 0.0 108.518 -172.777 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -94.02 99.06 11.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.203 -0.936 . . . . 0.0 111.969 169.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.26 142.76 29.52 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.495 -0.753 . . . . 0.0 109.998 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.55 42.22 1.23 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.219 -0.925 . . . . 0.0 112.429 178.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.8 OUTLIER -144.04 -34.28 0.39 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.248 -0.908 . . . . 0.0 111.826 -165.295 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.64 -19.76 62.64 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.75 -44.52 9.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -175.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.588 HD22 HD23 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -0.944 . . . . 0.0 111.703 163.239 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.92 -67.16 0.46 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -37.7 -55.02 1.18 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.98 0.912 . . . . 0.0 113.289 160.149 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -62.34 -42.24 99.22 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -178.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.577 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 65.7 t80 -70.36 -33.14 71.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.151 -0.968 . . . . 0.0 112.103 177.431 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -70.7 -38.28 73.66 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.117 -0.989 . . . . 0.0 112.902 171.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -82.21 -31.61 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.117 -0.99 . . . . 0.0 110.178 -166.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -57.94 -36.83 73.07 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 124.026 0.93 . . . . 0.0 110.471 168.321 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.71 156.33 37.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.137 -0.977 . . . . 0.0 112.761 -172.075 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -103.85 -66.65 0.94 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.176 -0.952 . . . . 0.0 109.301 162.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 8.0 p-10 -79.67 -40.49 28.95 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 -159.745 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.31 56.43 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 155.21 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -98.55 22.27 10.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.216 -0.927 . . . . 0.0 112.713 155.575 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.64 9.64 68.58 Favored Glycine 0 CA--C 1.573 3.667 0 O-C-N 121.174 -0.954 . . . . 0.0 115.05 169.065 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 156.98 27.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.331 -1.099 . . . . 0.0 111.679 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.05 139.61 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.227 161.603 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.25 171.06 8.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.175 -0.953 . . . . 0.0 112.713 -171.06 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 tt -72.36 -31.05 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.265 -0.897 . . . . 0.0 110.206 -174.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -31.85 68.85 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.547 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.54 -19.83 57.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 171.057 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' CD2' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -70.26 -71.98 0.22 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.257 -0.902 . . . . 0.0 111.865 -165.808 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.32 -26.65 0.21 Allowed Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.181 -0.949 . . . . 0.0 115.17 165.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.69 -46.02 20.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.262 -1.14 . . . . 0.0 113.862 -172.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mm -54.62 -57.64 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.229 161.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 27' ' ' LEU . 2.0 mt -81.7 6.07 16.43 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 121.023 -1.048 . . . . 0.0 111.493 -171.053 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.98 42.13 0.45 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.203 -0.935 . . . . 0.0 110.842 167.593 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.08 -77.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.1 p -98.65 167.42 10.8 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.226 -0.921 . . . . 0.0 109.776 -165.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.22 -90.08 0.09 OUTLIER Glycine 0 CA--C 1.572 3.61 0 O-C-N 121.171 -0.955 . . . . 0.0 115.089 159.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.202 -1.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.34 93.73 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.29 157.55 44.21 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.182 -0.949 . . . . 0.0 109.71 -166.721 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -37.41 87.36 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 169.035 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -13.08 25.41 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.639 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -79.02 -43.97 23.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.236 -0.915 . . . . 0.0 112.648 175.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -59.77 -41.86 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.201 -0.937 . . . . 0.0 110.199 167.434 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.542 ' CD ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -74.89 -30.65 61.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.075 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.25 -28.86 64.46 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.944 0.897 . . . . 0.0 112.755 166.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tp -72.11 -42.89 65.55 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 173.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.411 ' CE ' HD11 ' B' ' 58' ' ' ILE . 7.5 tpt -92.08 12.05 23.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.156 -0.965 . . . . 0.0 112.107 171.847 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.542 ' HE3' ' CD ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -91.49 -43.1 9.89 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.28 -0.888 . . . . 0.0 109.907 159.803 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.46 -45.94 74.5 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.509 -0.744 . . . . 0.0 112.469 176.28 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.8 t -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.295 -0.878 . . . . 0.0 112.89 -177.412 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 161.57 19.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.259 -0.901 . . . . 0.0 112.656 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -117.6 -119.12 0.31 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.193 -0.942 . . . . 0.0 109.924 -178.221 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -79.03 20.28 0.49 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 161.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 76.29 41.54 0.21 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.894 1.278 . . . . 0.0 113.169 163.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.97 59.29 4.27 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.432 1.093 . . . . 0.0 112.527 153.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -45.65 -28.52 2.54 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.24 -0.912 . . . . 0.0 115.24 -161.04 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.68 126.1 26.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -1.171 . . . . 0.0 113.838 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.96 HG23 ' HB2' ' B' ' 62' ' ' GLU . 42.9 mt -105.1 148.02 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 124.118 0.967 . . . . 0.0 110.171 -161.387 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -116.99 -173.38 2.39 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.25 1.02 . . . . 0.0 112.839 171.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -58.08 -36.18 72.46 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.91 -1.119 . . . . 0.0 112.128 -171.652 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.28 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.898 2.285 . . . . 0.0 111.381 173.176 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.96 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.3 mm-40 -23.96 -38.48 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 125.617 1.567 . . . . 0.0 113.768 166.82 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.577 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 50.4 t80 -61.78 -54.01 48.12 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.337 -0.852 . . . . 0.0 112.063 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.588 HD23 HD22 ' A' ' 7' ' ' LEU . 42.8 mt -55.78 -31.97 63.07 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.095 0.958 . . . . 0.0 111.874 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -85.08 -45.98 11.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.057 -1.027 . . . . 0.0 109.385 178.371 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -56.92 -29.91 63.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.6 ttp -87.18 -71.75 0.55 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.177 -0.952 . . . . 0.0 110.597 165.551 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -26.53 62.0 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -162.716 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -39.57 108.88 0.1 Allowed Glycine 0 CA--C 1.571 3.568 0 O-C-N 121.163 -0.961 . . . . 0.0 115.098 168.245 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -95.31 157.0 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.264 -1.139 . . . . 0.0 108.534 -162.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -63.91 149.41 47.21 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.157 -0.964 . . . . 0.0 111.962 167.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.438 0 O-C-N 121.196 -0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.64 105.18 1.41 Allowed 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.923 0.889 . . . . 0.0 110.02 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.19 7.04 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.311 -0.868 . . . . 0.0 112.361 174.386 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 24.5 tt0 -157.36 -44.37 0.07 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.236 -0.915 . . . . 0.0 111.802 -168.19 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.4 tt0 -45.73 -62.97 1.08 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -170.084 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.64 -13.81 44.49 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -164.301 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' B' ' 67' ' ' MET . 0.1 OUTLIER -77.75 -28.21 50.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 111.721 162.454 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -66.89 -61.19 2.07 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -43.39 -46.4 6.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.238 165.214 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -60.55 -36.15 77.77 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 13.1 t80 -71.33 -32.87 69.1 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.204 -0.935 . . . . 0.0 112.121 -176.547 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.06 -33.46 38.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.172 -0.955 . . . . 0.0 112.924 169.369 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -68.51 -33.86 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.165 0.986 . . . . 0.0 110.249 -175.255 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.759 ' HE2' HG21 ' A' ' 30' ' ' ILE . 23.5 m-85 -56.59 -53.05 62.12 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 159.509 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -71.02 142.04 50.93 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.14 -0.975 . . . . 0.0 112.753 -161.493 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.93 -57.08 10.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.089 -1.007 . . . . 0.0 109.161 -173.718 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -131.91 7.21 4.35 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -163.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.44 52.96 2.23 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 157.152 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -86.74 -8.54 57.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.237 -0.914 . . . . 0.0 112.748 164.287 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.68 -19.33 7.5 Favored Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.118 -0.989 . . . . 0.0 115.244 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -112.43 161.35 16.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.253 -1.146 . . . . 0.0 111.738 -163.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.702 HG23 ' CG ' ' A' ' 26' ' ' GLU . 92.5 mt -120.13 131.43 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.149 -0.97 . . . . 0.0 110.275 165.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -110.09 176.39 5.07 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 112.767 -166.252 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -27.6 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.144 -0.972 . . . . 0.0 110.255 171.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -70.22 -37.16 74.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.942 -1.099 . . . . 0.0 113.716 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.702 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -74.17 -49.78 22.11 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.682 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD22 HG23 ' B' ' 43' ' ' ILE . 8.1 tt -46.86 -58.09 4.27 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 125.333 1.453 . . . . 0.0 111.952 -170.295 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.95 -35.54 32.52 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.108 -0.995 . . . . 0.0 115.072 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -80.56 -28.42 37.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.263 -1.14 . . . . 0.0 113.877 177.432 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.759 HG21 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -54.83 -63.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.27 -0.894 . . . . 0.0 110.196 165.055 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 HD11 ' B' ' 43' ' ' ILE . 1.7 mt -53.75 -43.41 69.11 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 121.082 -1.012 . . . . 0.0 111.296 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -85.18 -57.9 2.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.443 -0.786 . . . . 0.0 110.836 -171.093 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.25 -2.3 34.15 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 -159.824 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.16 157.82 43.29 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.291 -0.881 . . . . 0.0 109.861 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.55 36.56 5.83 Favored Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.238 -0.913 . . . . 0.0 115.125 165.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.423 0 O-C-N 121.232 -1.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.35 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -156.71 102.11 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.1 170.12 8.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.208 -0.933 . . . . 0.0 109.749 -170.3 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.12 -24.49 67.71 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 163.348 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -66.34 -38.0 86.62 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.15 -43.07 75.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.168 -0.958 . . . . 0.0 112.62 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.518 HD11 HD12 ' A' ' 31' ' ' LEU . 1.7 mp -63.18 -52.3 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.173 -0.954 . . . . 0.0 110.24 172.81 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -40.42 96.19 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -63.92 -44.19 93.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.33 -0.856 . . . . 0.0 112.683 174.596 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.68 ' O ' HD22 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -71.64 -49.32 41.1 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -176.732 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.9 tpt -65.38 -43.87 89.35 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.943 -1.098 . . . . 0.0 112.078 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.23 -19.8 29.43 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.324 -0.86 . . . . 0.0 110.313 -169.696 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.9 -53.51 31.37 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.509 -1.37 . . . . 0.0 112.45 159.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -64.66 -16.73 63.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.271 -0.893 . . . . 0.0 112.881 -178.191 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.51 149.67 42.11 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.13 -0.981 . . . . 0.0 112.612 -174.424 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -142.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.134 -0.979 . . . . 0.0 110.081 156.452 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -74.78 13.21 0.67 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.977 -1.077 . . . . 0.0 113.468 -162.657 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 75.48 35.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.02 -1.05 . . . . 0.0 113.215 159.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.5 54.33 1.89 Allowed 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.25 1.02 . . . . 0.0 112.616 154.454 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.85 74.84 0.28 Allowed Glycine 0 CA--C 1.572 3.634 0 O-C-N 121.171 -0.956 . . . . 0.0 115.106 -162.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -42.12 154.58 0.05 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.29 -1.124 . . . . 0.0 113.879 165.306 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.978 HG23 ' HB2' ' B' ' 62' ' ' GLU . 23.1 mt -94.95 145.04 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.464 1.106 . . . . 0.0 110.234 -161.22 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.52 -174.57 2.59 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.13 0.972 . . . . 0.0 112.829 173.526 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.62 -35.15 78.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.86 -1.15 . . . . 0.0 111.925 -169.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -83.98 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 125.031 2.348 . . . . 0.0 111.363 168.724 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.978 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.5 mm-40 -25.74 -35.63 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 CA-C-N 113.847 -1.524 . . . . 0.0 113.865 166.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.593 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 1.9 t80 -62.72 -55.23 28.55 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.032 -1.042 . . . . 0.0 112.015 173.569 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.5 -38.27 71.55 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 123.906 0.882 . . . . 0.0 111.824 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -24.06 34.4 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.079 -1.013 . . . . 0.0 109.369 -176.693 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.8 ttp -71.13 -43.84 66.8 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 177.467 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.506 ' HE1' HD13 ' A' ' 7' ' ' LEU . 7.0 ptt? -113.09 15.06 19.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.035 -1.041 . . . . 0.0 110.653 -176.799 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -119.67 -43.13 2.59 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.761 1.225 . . . . 0.0 113.924 157.642 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.16 89.14 1.61 Allowed Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.092 -1.005 . . . . 0.0 115.13 -169.574 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.91 -175.91 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.268 -1.136 . . . . 0.0 108.518 -172.188 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -52.22 108.97 0.33 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.144 -0.972 . . . . 0.0 111.929 175.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.412 0 O-C-N 121.206 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.32 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -55.78 107.72 0.37 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.555 -0.716 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -103.94 112.69 25.78 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.2 -0.937 . . . . 0.0 112.55 -173.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 0.1 OUTLIER -87.06 25.13 1.38 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.335 -0.853 . . . . 0.0 112.062 178.286 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.59 -65.53 0.67 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.63 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.7 -51.39 68.99 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -54.08 49.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.26 -0.9 . . . . 0.0 111.747 -177.186 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' B' ' 60' ' ' PHE . . . -71.67 -39.32 70.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -175.861 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -42.7 -50.49 5.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.278 -0.889 . . . . 0.0 113.241 157.247 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.82 61.41 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.449 ' HB2' ' CE2' ' B' ' 63' ' ' PHE . 80.7 t80 -76.46 -34.07 58.72 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.271 -0.893 . . . . 0.0 112.143 -178.265 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -70.62 -38.08 73.88 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.248 -0.908 . . . . 0.0 112.914 165.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mm -72.07 -31.56 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -174.86 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -65.77 -49.73 67.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.333 -0.854 . . . . 0.0 110.479 163.427 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.77 136.93 56.87 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.164 -0.96 . . . . 0.0 112.746 -162.084 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -115.74 -36.32 4.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.108 -0.995 . . . . 0.0 109.228 -162.696 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -95.73 -29.28 14.36 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.09 52.24 0.2 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 168.211 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.63 -2.48 41.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.295 -0.878 . . . . 0.0 112.703 156.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.64 -18.69 46.81 Favored Glycine 0 CA--C 1.571 3.568 0 O-C-N 121.196 -0.94 . . . . 0.0 115.352 -172.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -113.28 157.37 21.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.259 . . . . 0.0 111.815 -166.021 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 mt -103.72 132.49 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.122 -0.986 . . . . 0.0 110.259 169.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -108.82 169.36 8.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.121 -0.987 . . . . 0.0 112.711 -173.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -28.73 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.397 -0.814 . . . . 0.0 110.151 177.693 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -36.63 64.01 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 59.1 mt-10 -71.12 -29.34 65.13 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.475 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' CD1' HD11 ' A' ' 31' ' ' LEU . 2.9 tm? -69.54 -63.15 1.13 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 111.832 -166.381 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -25.89 -84.45 0.01 OUTLIER Glycine 0 CA--C 1.572 3.619 0 O-C-N 121.201 -0.937 . . . . 0.0 115.223 160.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.518 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 5.5 pt-20 -60.28 -20.71 60.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -1.197 . . . . 0.0 113.912 -167.555 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -58.72 -62.02 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.203 -0.936 . . . . 0.0 110.209 163.636 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD11 ' CD1' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -54.82 -66.41 0.41 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.08 . . . . 0.0 111.179 170.241 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.784 ' HG2' ' CG2' ' B' ' 38' ' ' VAL . 0.1 OUTLIER -53.61 -50.98 64.5 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.227 -0.92 . . . . 0.0 110.881 -166.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.94 -11.9 9.5 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -158.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -129.53 109.9 11.41 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.321 -0.862 . . . . 0.0 109.859 161.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -163.1 -80.2 0.04 OUTLIER Glycine 0 CA--C 1.572 3.647 0 O-C-N 121.137 -0.977 . . . . 0.0 115.132 -173.622 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.406 0 O-C-N 121.257 -1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.784 ' CG2' ' HG2' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -153.45 146.28 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 . . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.08 154.5 50.31 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.202 -0.936 . . . . 0.0 109.718 -169.23 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.03 -27.07 68.06 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -158.407 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.04 -39.78 78.97 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.7 -33.35 68.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.197 -0.94 . . . . 0.0 112.678 178.389 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.11 -49.34 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.127 -0.983 . . . . 0.0 110.165 164.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -36.45 81.7 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.702 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.06 -41.28 97.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.331 -0.855 . . . . 0.0 112.668 171.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.01 -55.45 32.69 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 170.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.7 tpt -82.32 -6.82 59.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.602 -1.311 . . . . 0.0 112.112 -167.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -87.53 -43.29 12.13 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.896 . . . . 0.0 109.815 165.126 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.5 -26.8 66.53 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.566 -0.709 . . . . 0.0 112.427 -177.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -86.06 -40.49 15.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.273 -0.892 . . . . 0.0 112.825 173.345 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -77.33 67.95 3.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.329 -0.857 . . . . 0.0 112.672 -169.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -69.44 -34.94 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.22 -0.925 . . . . 0.0 109.974 -165.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -65.1 -21.98 66.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.309 -0.869 . . . . 0.0 113.264 -176.363 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 54.58 81.32 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.219 -0.926 . . . . 0.0 113.255 -176.499 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.71 -20.28 2.03 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.565 1.146 . . . . 0.0 112.74 165.931 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.11 59.08 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.011 -1.056 . . . . 0.0 115.09 169.016 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -162.31 151.25 15.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.199 -1.177 . . . . 0.0 113.959 171.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.979 HG23 ' HB2' ' B' ' 62' ' ' GLU . 70.8 mt -110.36 135.44 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.208 -0.932 . . . . 0.0 110.317 -162.66 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -120.5 173.07 7.39 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.296 1.038 . . . . 0.0 112.818 169.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.501 ' HE2' ' HB2' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.32 -34.32 66.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.825 -1.172 . . . . 0.0 112.067 -156.15 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -78.13 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.656 0 O-C-N 120.372 -1.455 . . . . 0.0 113.411 161.193 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.979 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.0 mt-10 -40.98 -31.01 0.15 Allowed 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 172.291 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 3.9 t80 -58.54 -53.32 59.71 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 119.89 -1.757 . . . . 0.0 112.045 170.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.4 mt -54.98 -26.04 33.95 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.19 0.996 . . . . 0.0 111.724 -177.274 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -43.37 10.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.244 -0.91 . . . . 0.0 109.464 174.754 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.01 -57.04 3.57 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 171.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' B' ' 68' ' ' GLU . 6.0 ttm -64.15 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.082 0.953 . . . . 0.0 110.599 166.452 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' B' ' 67' ' ' MET . 5.9 mt-10 -77.29 6.73 6.21 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -163.84 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 10.66 110.9 0.0 OUTLIER Glycine 0 CA--C 1.57 3.522 0 N-CA-C 116.691 1.437 . . . . 0.0 116.691 155.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -123.19 30.46 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.172 -1.193 . . . . 0.0 108.464 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -66.43 -80.83 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.241 -0.912 . . . . 0.0 111.972 -174.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.112 -0.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -170.65 118.74 0.53 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.564 -0.71 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.64 129.49 34.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.271 -0.893 . . . . 0.0 112.418 -164.668 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.0 pt-20 -130.08 -35.45 1.6 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.247 -0.908 . . . . 0.0 111.875 -169.844 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -64.71 -23.7 67.33 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -69.31 -62.56 1.33 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 171.017 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.912 HD22 HD23 ' B' ' 64' ' ' LEU . 5.8 mp -55.52 -21.37 16.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.086 -1.009 . . . . 0.0 111.707 167.359 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -59.05 -68.49 0.27 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.126 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -50.62 -44.04 57.1 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.246 -0.909 . . . . 0.0 113.307 169.558 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -60.89 -43.07 98.99 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.588 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 84.9 t80 -69.01 -27.65 65.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.348 -0.845 . . . . 0.0 111.93 177.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -68.34 -36.67 79.6 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.914 0.886 . . . . 0.0 113.058 163.498 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.86 -38.8 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 124.3 1.04 . . . . 0.0 110.288 -176.11 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.695 ' CE2' HG21 ' A' ' 30' ' ' ILE . 11.1 m-85 -58.48 -52.09 67.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.307 -0.871 . . . . 0.0 110.378 175.186 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.72 146.38 33.95 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.222 -0.924 . . . . 0.0 112.822 -170.654 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HG2' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.6 -37.32 87.17 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.11 -0.994 . . . . 0.0 109.178 -170.509 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 6.4 m120 -140.47 -33.04 0.57 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -158.874 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.73 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 156.195 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.4 -23.08 64.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.258 -0.901 . . . . 0.0 112.681 156.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.549 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 130.37 20.39 1.27 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.258 -0.901 . . . . 0.0 115.301 155.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.577 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -124.05 168.8 12.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.301 -1.117 . . . . 0.0 111.591 177.072 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 mt -110.81 162.64 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.043 -1.036 . . . . 0.0 110.243 165.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.53 158.36 27.47 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.13 -0.981 . . . . 0.0 112.623 164.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.861 HD12 HD13 ' A' ' 27' ' ' LEU . 1.8 tp -59.61 -31.38 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.418 -0.802 . . . . 0.0 110.186 174.141 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.11 -28.32 68.72 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 177.037 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.597 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 89.0 mt-10 -75.78 -24.61 56.01 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 166.025 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.861 HD13 HD12 ' A' ' 24' ' ' ILE . 8.9 tt -69.42 -52.75 23.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.225 -0.922 . . . . 0.0 111.833 -159.214 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.39 -30.83 78.75 Favored Glycine 0 CA--C 1.571 3.559 0 O-C-N 121.171 -0.955 . . . . 0.0 115.163 176.015 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.2 tt0 -75.38 -35.63 61.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.161 . . . . 0.0 113.86 176.846 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.695 HG21 ' CE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -55.96 -65.89 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.208 163.84 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.38 -24.32 67.2 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.128 -0.982 . . . . 0.0 111.709 -164.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 -16.31 12.91 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.115 -0.991 . . . . 0.0 110.873 -168.613 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -43.02 124.92 3.37 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.794 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.92 -158.92 0.61 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.235 -0.916 . . . . 0.0 109.721 -169.19 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.53 -27.52 0.02 OUTLIER Glycine 0 CA--C 1.572 3.621 0 O-C-N 121.187 -0.946 . . . . 0.0 115.086 156.676 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.397 0 O-C-N 121.285 -1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.8 95.87 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.459 HG22 ' H ' ' B' ' 40' ' ' GLU . 0.6 OUTLIER -86.42 -177.9 6.31 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.212 -0.93 . . . . 0.0 109.763 -172.485 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.459 ' H ' HG22 ' B' ' 39' ' ' THR . 64.5 mt-10 -74.66 -36.36 62.83 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 176.806 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.2 -41.53 98.45 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 173.561 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.13 -35.62 80.12 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.233 -0.917 . . . . 0.0 112.64 175.596 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.25 -35.32 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.217 -0.927 . . . . 0.0 110.227 169.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.81 -34.16 71.45 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.58 -42.33 91.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.282 -0.886 . . . . 0.0 112.662 166.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.2 tp -51.55 -46.77 63.49 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 168.328 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.9 tpt -70.25 -42.9 71.59 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.095 -176.255 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -85.82 -18.39 33.02 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 -172.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.02 -58.36 5.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.499 -1.376 . . . . 0.0 112.466 157.142 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.0 m -55.66 -32.6 63.35 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.143 -0.973 . . . . 0.0 112.709 -174.162 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -76.97 104.6 7.55 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.253 -0.904 . . . . 0.0 112.675 -168.234 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -55.2 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.225 -0.922 . . . . 0.0 109.917 -177.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -65.7 -2.57 3.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.267 -0.896 . . . . 0.0 113.41 -167.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 58.79 84.3 0.11 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.103 -0.998 . . . . 0.0 113.251 170.281 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.5 -17.39 1.0 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.242 -0.911 . . . . 0.0 112.746 172.435 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.74 8.82 56.9 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 120.858 -1.151 . . . . 0.0 115.115 165.254 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -147.43 151.74 36.96 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.224 -1.162 . . . . 0.0 113.838 167.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.788 HG23 ' HB2' ' B' ' 62' ' ' GLU . 65.4 mt -105.86 151.97 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.133 -0.979 . . . . 0.0 110.202 -156.735 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -118.23 -167.46 1.36 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.088 -1.008 . . . . 0.0 112.717 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.33 -39.0 93.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.034 -1.041 . . . . 0.0 112.091 -176.156 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.55 -84.72 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.827 2.251 . . . . 0.0 111.324 171.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.788 ' HB2' HG23 ' B' ' 58' ' ' ILE . 30.9 mt-10 -27.21 -35.28 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.905 -1.498 . . . . 0.0 113.868 167.846 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.588 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -61.17 -55.95 26.36 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.977 -1.077 . . . . 0.0 111.846 174.455 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.912 HD23 HD22 ' A' ' 7' ' ' LEU . 19.6 mt -51.01 -42.17 60.25 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.689 1.196 . . . . 0.0 111.888 175.777 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -98.92 -9.56 23.97 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.995 -1.066 . . . . 0.0 109.646 -164.118 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -90.42 -40.17 12.2 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 166.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -53.88 14.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.198 -0.938 . . . . 0.0 110.615 162.36 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.01 -46.46 61.55 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 162.348 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.93 -110.85 0.45 Allowed Glycine 0 CA--C 1.572 3.601 0 O-C-N 121.227 -0.921 . . . . 0.0 115.167 165.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.4 t -98.52 150.59 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.307 -1.113 . . . . 0.0 108.51 -163.123 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -83.73 -35.4 24.46 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.18 -0.95 . . . . 0.0 111.932 -158.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.385 0 O-C-N 121.23 -0.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.91 86.99 0.11 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.508 -0.745 . . . . 0.0 110.031 . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -83.54 146.24 28.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.255 -0.903 . . . . 0.0 112.391 -169.264 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -106.1 -21.18 13.19 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.208 -0.933 . . . . 0.0 111.859 -167.524 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.08 -23.48 62.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -177.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -102.68 -28.36 12.17 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.045 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.426 HD22 HD23 ' B' ' 64' ' ' LEU . 5.7 mp -74.47 -25.91 59.69 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.046 0.938 . . . . 0.0 111.753 161.352 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HA ' ' HE1' ' B' ' 60' ' ' PHE . . . -68.2 -54.9 14.55 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.229 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.84 -31.7 69.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.253 -0.904 . . . . 0.0 113.182 170.221 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.09 86.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 166.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HD1' ' CG ' ' B' ' 63' ' ' PHE . 64.4 t80 -78.38 -30.11 47.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.37 -0.831 . . . . 0.0 112.214 -178.365 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -56.97 12.11 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.306 1.042 . . . . 0.0 112.922 163.603 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.43 -28.39 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.2 -0.938 . . . . 0.0 110.269 -170.325 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -72.83 -38.16 67.22 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.917 0.887 . . . . 0.0 110.414 174.11 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.6 122.59 20.79 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.263 -0.898 . . . . 0.0 112.798 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HD3' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -91.07 13.57 16.47 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.016 -1.052 . . . . 0.0 109.879 -162.754 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 1.9 p30 -170.46 -25.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.383 -1.448 . . . . 0.0 114.651 -154.445 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.57 55.31 2.8 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 161.458 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.69 -20.1 21.94 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.226 -0.922 . . . . 0.0 112.746 154.587 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.41 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 126.05 2.51 7.15 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.111 -0.993 . . . . 0.0 115.151 171.47 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 5.5 m-30 -120.08 170.43 9.3 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.215 -1.168 . . . . 0.0 111.662 -175.348 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.812 HG23 ' CG ' ' A' ' 26' ' ' GLU . 62.9 mt -127.49 121.14 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 C-N-CA 124.195 0.998 . . . . 0.0 110.199 175.548 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' B' ' 57' ' ' ARG . 25.4 p30 -98.99 161.75 13.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.964 -1.085 . . . . 0.0 112.849 -174.153 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -9.06 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.291 -0.881 . . . . 0.0 110.527 175.826 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -80.79 -40.15 25.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.469 -1.394 . . . . 0.0 113.746 170.714 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.812 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.82 -50.82 65.21 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.311 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.755 HD11 HG12 ' B' ' 43' ' ' ILE . 2.1 tm? -44.21 -73.22 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.337 1.455 . . . . 0.0 111.966 -171.024 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.547 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -48.72 -42.51 28.45 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.174 -0.954 . . . . 0.0 115.1 -177.323 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.74 -36.46 78.42 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.224 -1.162 . . . . 0.0 113.903 178.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.552 HG22 HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -58.46 -61.61 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.115 -0.99 . . . . 0.0 110.209 162.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 ' CD2' ' A' ' 27' ' ' LEU . 3.6 mt -79.62 25.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 121.01 -1.056 . . . . 0.0 111.45 -178.173 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 tpt85 -155.76 -64.26 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.333 -0.855 . . . . 0.0 110.831 163.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.24 121.66 23.24 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -159.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.16 134.97 33.82 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.268 -0.895 . . . . 0.0 109.664 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.58 14.13 0.06 OUTLIER Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.221 -0.925 . . . . 0.0 115.053 -177.446 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.431 0 O-C-N 121.238 -1.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -89.16 146.17 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 63.8 p -105.78 166.27 10.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.228 -0.92 . . . . 0.0 109.789 157.084 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.91 -37.79 88.37 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -173.847 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.81 -33.11 72.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -178.842 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.55 -47.21 86.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.226 -0.921 . . . . 0.0 112.705 168.015 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.755 HG12 HD11 ' A' ' 27' ' ' LEU . 8.7 mt -63.73 -51.72 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.234 -0.916 . . . . 0.0 110.272 -174.457 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -33.98 77.19 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.45 -46.67 89.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.264 -0.898 . . . . 0.0 112.622 165.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.81 -44.74 61.11 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -175.599 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 6.6 ttt -87.8 11.11 16.32 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.054 -1.029 . . . . 0.0 112.083 176.62 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.7 -34.96 11.17 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 123.902 0.881 . . . . 0.0 109.869 156.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -67.49 -58.99 3.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 112.468 175.555 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 -16.18 58.59 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.187 -0.946 . . . . 0.0 112.907 -176.423 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -65.09 134.59 54.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.176 -0.952 . . . . 0.0 112.68 165.758 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -99.09 0.25 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.263 -0.898 . . . . 0.0 110.015 -176.738 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.17 12.42 2.87 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -170.47 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 59.17 48.37 10.55 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.98 0.912 . . . . 0.0 113.293 -164.081 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -106.13 54.67 0.68 Allowed 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 124.798 1.239 . . . . 0.0 112.435 153.646 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.74 27.1 0.92 Allowed Glycine 0 CA--C 1.57 3.497 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -159.845 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -88.04 122.97 32.26 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.904 -1.351 . . . . 0.0 113.808 161.786 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.882 HG23 ' HB2' ' B' ' 62' ' ' GLU . 40.3 mt -101.95 149.13 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.032 -1.042 . . . . 0.0 110.122 -156.873 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -119.27 -174.72 2.78 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.07 -1.019 . . . . 0.0 112.829 171.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.458 ' HE1' ' HA ' ' A' ' 8' ' ' ALA . 42.0 t80 -62.3 -32.15 72.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.947 -1.095 . . . . 0.0 112.014 -166.102 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.72 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.151 0 CA-C-O 124.652 2.168 . . . . 0.0 111.516 172.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.882 ' HB2' HG23 ' B' ' 58' ' ' ILE . 35.3 mt-10 -24.44 -41.71 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.734 0 CA-C-N 113.825 -1.534 . . . . 0.0 113.614 166.418 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.625 ' CG ' ' HD1' ' A' ' 11' ' ' PHE . 58.2 t80 -60.41 -48.86 79.92 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.437 -0.79 . . . . 0.0 111.719 179.133 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 7' ' ' LEU . 27.6 mt -60.35 -29.87 69.18 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 124.823 1.249 . . . . 0.0 111.86 173.527 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -45.37 9.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -163.614 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.822 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.72 2.81 31.93 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 167.57 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -73.49 0.24 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.029 -1.045 . . . . 0.0 110.514 156.221 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -138.47 34.22 2.27 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -167.347 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.42 -51.77 11.99 Favored Glycine 0 CA--C 1.572 3.6 0 O-C-N 121.201 -0.937 . . . . 0.0 115.166 155.55 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.54 148.09 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.283 -1.127 . . . . 0.0 108.462 -175.378 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -110.21 141.08 43.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.245 -0.909 . . . . 0.0 112.097 167.304 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.404 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.308 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -64.47 142.48 58.41 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.515 -0.741 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -93.36 103.1 15.35 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.227 -0.92 . . . . 0.0 112.451 177.396 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -94.5 -65.05 1.01 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.226 -0.921 . . . . 0.0 111.825 173.579 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 8.3 tt0 -49.57 -26.88 3.88 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -164.128 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.88 -54.59 5.67 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -178.644 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.905 HD12 HD23 ' B' ' 64' ' ' LEU . 1.2 mt -58.23 -15.51 10.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.208 -0.933 . . . . 0.0 111.768 164.747 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -70.86 -65.32 0.75 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 166.851 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -40.66 -51.92 2.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.247 -0.908 . . . . 0.0 113.232 163.248 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.43 84.09 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 -176.405 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.499 ' HD1' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -68.8 -42.56 77.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.214 -0.929 . . . . 0.0 112.066 179.086 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -53.03 -41.07 64.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.132 -0.98 . . . . 0.0 112.924 167.013 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.62 -33.33 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.504 1.122 . . . . 0.0 110.204 -171.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -56.58 -41.33 76.76 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.373 -0.829 . . . . 0.0 110.43 170.548 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.86 168.57 19.18 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.179 -0.95 . . . . 0.0 112.794 -159.064 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.695 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -101.08 -79.1 0.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 161.598 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.695 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 19.9 t30 -86.8 -36.38 18.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -162.627 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.75 58.58 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 155.604 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.4 17.14 4.67 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.26 -0.9 . . . . 0.0 112.68 160.205 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.15 -1.67 54.64 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.097 -1.002 . . . . 0.0 115.439 173.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.24 163.97 14.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.235 -1.156 . . . . 0.0 111.801 -168.281 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' HD2' ' B' ' 63' ' ' PHE . 23.8 mt -122.47 138.88 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.273 1.029 . . . . 0.0 110.215 164.47 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -118.12 168.28 10.71 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.967 -1.083 . . . . 0.0 112.753 -166.898 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' SD ' ' B' ' 47' ' ' MET . 2.3 tp -60.57 -37.16 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.112 -0.993 . . . . 0.0 110.217 -173.365 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.18 -21.27 56.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.56 -23.06 53.56 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 164.125 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HG ' HD11 ' A' ' 31' ' ' LEU . 1.3 tt -74.58 -72.91 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.202 -0.937 . . . . 0.0 111.843 -161.276 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.71 60.14 Favored Glycine 0 CA--C 1.572 3.594 0 O-C-N 121.171 -0.955 . . . . 0.0 115.122 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -52.3 -59.74 4.04 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -1.171 . . . . 0.0 113.895 162.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -48.14 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.103 -0.998 . . . . 0.0 110.168 171.372 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.605 HD11 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -73.16 13.14 0.45 Allowed 'General case' 0 CA--C 1.574 1.87 0 O-C-N 121.199 -0.938 . . . . 0.0 111.467 -167.266 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -108.84 -43.52 4.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.308 -0.87 . . . . 0.0 110.851 162.062 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.44 162.34 13.09 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -172.15 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -79.97 161.12 25.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.168 -0.957 . . . . 0.0 109.706 -159.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.75 162.65 28.3 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.25 -0.906 . . . . 0.0 115.096 -163.542 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.262 -1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.89 69.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.24 173.37 12.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.213 -0.929 . . . . 0.0 109.728 -179.71 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.19 -17.88 54.04 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 173.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -20.45 66.05 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 164.164 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -80.06 -37.74 33.29 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.231 -0.918 . . . . 0.0 112.663 169.628 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.54 -38.22 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.146 -0.971 . . . . 0.0 110.12 163.385 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -35.09 78.27 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 172.01 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.07 -42.29 99.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 171.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.471 HD22 ' O ' ' B' ' 46' ' ' LEU . 0.7 OUTLIER -61.39 -53.83 51.49 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 173.956 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.597 ' SD ' HD12 ' A' ' 24' ' ' ILE . 2.8 tpt -76.7 -28.81 56.01 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.755 -1.215 . . . . 0.0 111.993 -166.048 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -20.58 17.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.264 -0.897 . . . . 0.0 110.292 -176.205 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.05 -50.38 62.1 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.602 -1.311 . . . . 0.0 112.445 157.763 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -75.32 -32.32 60.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.187 -0.946 . . . . 0.0 112.873 -170.635 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.65 98.71 4.12 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.206 -0.933 . . . . 0.0 112.681 -173.032 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.92 -75.38 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.067 -174.279 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.53 -12.86 59.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.14 -0.975 . . . . 0.0 113.333 -164.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.1 m120 62.59 66.61 0.76 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.097 -1.002 . . . . 0.0 113.272 163.567 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -51.81 2.84 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.036 1.334 . . . . 0.0 112.625 159.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 176.9 -26.92 0.06 OUTLIER Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.246 -0.909 . . . . 0.0 115.042 174.114 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -115.77 171.05 8.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.263 -1.14 . . . . 0.0 113.907 -157.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.968 HG23 ' HB2' ' B' ' 62' ' ' GLU . 39.0 mt -103.34 151.9 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 124.338 1.055 . . . . 0.0 110.206 166.72 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -125.2 -153.48 0.57 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.314 1.045 . . . . 0.0 112.731 160.04 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.472 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -79.67 -40.51 28.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.857 -1.152 . . . . 0.0 112.156 -162.68 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.04 -75.27 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 113.853 164.178 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.968 ' HB2' HG23 ' B' ' 58' ' ' ILE . 3.2 mt-10 -33.18 -49.99 0.28 Allowed 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 165.808 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.462 ' HD2' HD12 ' A' ' 22' ' ' ILE . 9.4 t80 -53.25 -35.72 60.31 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.22 -0.925 . . . . 0.0 111.863 -177.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.905 HD23 HD12 ' A' ' 7' ' ' LEU . 23.2 mt -71.12 -33.09 69.8 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.022 0.929 . . . . 0.0 111.781 -179.407 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 -38.15 21.08 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.256 -0.903 . . . . 0.0 109.358 179.304 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.9 ttp -55.95 -59.6 4.66 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -46.58 -65.36 0.57 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.248 -0.908 . . . . 0.0 110.521 168.275 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.44 -57.03 4.05 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -159.715 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.84 57.6 1.7 Allowed Glycine 0 CA--C 1.572 3.611 0 O-C-N 121.141 -0.974 . . . . 0.0 115.107 -163.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.521 HG22 ' HG2' ' B' ' 71' ' ' GLN . 9.8 p -62.92 173.2 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.344 -1.092 . . . . 0.0 108.545 -167.42 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.521 ' HG2' HG22 ' B' ' 70' ' ' VAL . 10.8 pt20 -41.0 138.57 1.04 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.172 -0.955 . . . . 0.0 112.001 173.064 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.413 0 O-C-N 121.239 -0.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tptt 90.5 152.34 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.555 -0.715 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 4.8 m -85.4 91.89 8.33 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.282 -0.886 . . . . 0.0 112.446 -154.763 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 0.9 OUTLIER -158.64 -35.81 0.06 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.163 -0.961 . . . . 0.0 111.893 -166.608 . . . . . . . . 4 4 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.786 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -61.66 -54.64 40.12 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -159.307 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -63.08 -57.33 10.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -22.93 27.36 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.268 -0.895 . . . . 0.0 111.731 169.902 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -62.42 -66.56 0.52 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 169.504 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -35.03 -58.91 0.52 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 123.942 0.897 . . . . 0.0 113.254 160.221 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.34 80.28 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -174.473 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.679 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 66.8 t80 -76.99 -32.23 57.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -0.893 . . . . 0.0 112.247 -178.644 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.51 -56.32 21.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.152 -0.968 . . . . 0.0 112.902 160.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mm -65.15 -33.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.053 0.941 . . . . 0.0 110.266 -166.335 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -54.96 -67.58 0.26 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.23 -0.919 . . . . 0.0 110.39 165.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -55.5 128.72 35.8 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.141 0.976 . . . . 0.0 112.854 -164.371 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -65.82 -68.63 0.35 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 175.502 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 34.5 t-20 -85.1 -30.6 23.91 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -161.687 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.22 48.2 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 159.624 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -76.69 -11.68 59.88 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.266 -0.896 . . . . 0.0 112.696 159.218 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.02 55.63 Favored Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.052 -1.03 . . . . 0.0 115.227 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -117.04 159.08 23.08 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.236 -1.155 . . . . 0.0 111.693 176.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.5 mt -117.63 151.28 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.195 0.998 . . . . 0.0 110.213 172.094 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -127.45 173.2 10.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.06 -1.025 . . . . 0.0 112.74 -162.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -39.48 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.58 -25.37 59.23 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -177.006 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -77.08 -29.56 55.03 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 169.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.98 -67.3 0.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.194 -0.941 . . . . 0.0 111.879 -172.514 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.6 -38.0 5.26 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.159 178.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -80.15 -35.35 36.73 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.24 -1.153 . . . . 0.0 113.86 -177.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -56.14 -57.94 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.28 -0.888 . . . . 0.0 110.228 166.377 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.536 HD21 HG13 ' B' ' 43' ' ' ILE . 4.6 pp -64.29 -16.19 61.67 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.052 -1.03 . . . . 0.0 111.732 178.819 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -97.39 -20.77 17.59 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.166 -0.959 . . . . 0.0 111.007 174.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.84 -27.52 0.12 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.682 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.9 p -55.47 -34.76 64.83 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.224 -0.922 . . . . 0.0 109.781 -159.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.37 -86.75 0.06 OUTLIER Glycine 0 CA--C 1.572 3.599 0 O-C-N 121.154 -0.966 . . . . 0.0 115.107 -159.484 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.21 -1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 p 42.37 83.56 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.23 170.13 20.78 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.167 -0.958 . . . . 0.0 109.784 -176.546 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -36.85 71.53 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -64.46 -29.53 70.57 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 174.136 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.86 -38.58 88.8 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.212 -0.93 . . . . 0.0 112.636 168.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.536 HG13 HD21 ' A' ' 31' ' ' LEU . 1.6 mp -66.2 -42.64 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.218 -0.926 . . . . 0.0 110.281 172.606 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.49 77.87 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.343 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -74.17 -34.29 63.76 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.04 0.936 . . . . 0.0 112.698 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.42 -45.63 84.42 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 160.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.5 ttt -80.37 7.84 8.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.155 -0.966 . . . . 0.0 112.139 -175.301 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -34.45 5.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.318 -0.864 . . . . 0.0 109.961 161.597 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -67.37 -34.19 76.77 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 0.0 112.454 173.721 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -86.97 -40.22 14.98 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.247 -0.908 . . . . 0.0 112.897 170.698 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -74.45 119.11 18.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.247 -0.908 . . . . 0.0 112.641 179.004 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -62.51 1.36 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.082 -1.012 . . . . 0.0 110.061 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 -30.06 70.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.324 -0.86 . . . . 0.0 113.258 -179.099 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 56.22 43.76 26.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.17 -0.956 . . . . 0.0 113.242 167.448 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -32.56 36.03 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.166 -0.959 . . . . 0.0 112.722 158.901 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.09 -11.54 0.19 Allowed Glycine 0 CA--C 1.571 3.586 0 O-C-N 121.107 -0.996 . . . . 0.0 115.234 161.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -151.32 162.73 40.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.244 -1.151 . . . . 0.0 113.853 -156.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.952 HG23 ' HB2' ' B' ' 62' ' ' GLU . 77.5 mt -109.58 150.21 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.209 -0.932 . . . . 0.0 110.225 -159.676 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -122.3 -165.88 1.34 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.063 -1.023 . . . . 0.0 112.739 166.792 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 112.048 -164.416 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.719 -1.238 . . . . 0.0 113.613 163.769 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.952 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.0 OUTLIER -34.42 -35.69 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.065 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 8.3 t80 -59.4 -49.18 78.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.559 -1.338 . . . . 0.0 111.927 174.813 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.28 -28.5 69.37 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.283 -0.886 . . . . 0.0 111.744 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -53.5 16.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.035 -1.041 . . . . 0.0 109.332 167.77 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.488 ' HE3' ' HD1' ' B' ' 63' ' ' PHE . 6.1 tmm? -61.1 -34.12 74.44 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -172.719 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -73.3 0.12 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.301 -0.874 . . . . 0.0 110.57 161.514 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -49.02 -33.06 10.42 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -161.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.6 161.2 6.82 Favored Glycine 0 CA--C 1.571 3.582 0 O-C-N 121.228 -0.92 . . . . 0.0 115.076 155.285 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.76 155.53 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.2 -1.176 . . . . 0.0 108.505 -171.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -60.38 -33.54 72.6 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.265 -0.897 . . . . 0.0 112.013 -168.319 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.402 0 O-C-N 121.221 -0.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -142.7 94.14 2.6 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.466 -0.771 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -150.34 63.22 0.96 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.287 -0.883 . . . . 0.0 112.42 -162.074 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.948 ' HG3' ' CD2' ' B' ' 64' ' ' LEU 0.26 0.0 OUTLIER -87.21 45.87 1.32 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.26 -0.9 . . . . 0.0 111.746 161.535 . . . . . . . . 4 4 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -73.64 -59.54 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -171.376 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.04 -18.01 59.22 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.563 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -28.25 30.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.209 -0.932 . . . . 0.0 111.703 168.221 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -65.02 -66.96 0.48 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 169.039 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -33.06 -55.03 0.39 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.919 0.887 . . . . 0.0 113.232 161.347 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -31.49 65.91 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -173.023 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -76.24 -30.26 57.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.272 -0.892 . . . . 0.0 112.141 177.365 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -26.25 57.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.252 -0.905 . . . . 0.0 112.969 167.124 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -74.08 -34.5 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.213 176.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -71.22 -33.63 70.06 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 123.997 0.919 . . . . 0.0 110.412 177.542 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.17 106.46 11.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.95 . . . . 0.0 112.867 -161.69 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.25 -51.2 7.67 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.134 -0.978 . . . . 0.0 109.413 -162.029 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.7 m120 -101.27 -30.01 11.75 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.222 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 84.12 43.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 154.128 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.64 -17.29 62.76 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.94 -1.1 . . . . 0.0 112.364 153.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.62 -41.63 1.5 Allowed Glycine 0 CA--C 1.573 3.686 0 O-C-N 121.454 -0.779 . . . . 0.0 115.001 178.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -128.56 163.4 25.09 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.461 -1.023 . . . . 0.0 111.74 -162.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -99.5 154.26 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 124.135 0.974 . . . . 0.0 110.281 -162.247 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.64 173.66 10.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.139 -0.976 . . . . 0.0 112.736 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -28.43 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.904 . . . . 0.0 110.272 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.28 -37.31 85.15 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.104 -0.998 . . . . 0.0 113.692 170.783 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -74.88 -40.43 60.95 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.879 HD12 HG23 ' B' ' 43' ' ' ILE . 2.9 tm? -45.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.008 0.923 . . . . 0.0 111.961 -174.413 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.467 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -43.54 -53.38 6.04 Favored Glycine 0 CA--C 1.57 3.528 0 O-C-N 121.091 -1.006 . . . . 0.0 115.148 -174.785 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -62.94 -35.77 81.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.239 -1.154 . . . . 0.0 113.861 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.16 -55.26 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.192 171.587 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -54.49 -49.34 70.37 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.028 -1.045 . . . . 0.0 111.34 173.297 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -117.96 34.7 5.04 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.465 -0.772 . . . . 0.0 110.829 -157.133 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.14 -178.44 3.87 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 165.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -133.24 87.46 2.4 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.254 -0.904 . . . . 0.0 109.812 175.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.92 -95.15 0.01 OUTLIER Glycine 0 CA--C 1.572 3.602 0 O-C-N 121.22 -0.925 . . . . 0.0 115.063 -159.219 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.216 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.23 150.33 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.2 p -134.43 -156.93 0.77 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.258 -0.902 . . . . 0.0 109.727 176.567 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.13 -38.45 43.78 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 173.231 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.72 -21.02 63.51 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.752 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -59.9 -56.2 24.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.306 -0.871 . . . . 0.0 112.689 161.319 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.879 HG23 HD12 ' A' ' 27' ' ' LEU . 1.2 mp -59.56 -42.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.243 177.18 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -34.95 75.02 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.32 -46.99 81.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -0.859 . . . . 0.0 112.643 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.36 -46.57 69.74 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -176.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -33.63 64.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 112.013 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -84.29 -12.97 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.299 -0.876 . . . . 0.0 110.553 177.031 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.99 -58.32 5.16 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.242 -1.536 . . . . 0.0 112.442 158.057 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.29 1.86 7.03 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.096 -1.003 . . . . 0.0 113.251 177.556 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.63 122.25 19.42 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.005 -1.06 . . . . 0.0 112.633 178.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.03 -140.48 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.072 -1.018 . . . . 0.0 110.087 158.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -73.36 -57.26 4.14 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.223 168.864 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 58.91 99.65 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 0.0 113.377 164.219 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -37.93 -46.6 0.99 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.191 -0.943 . . . . 0.0 112.669 162.561 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.82 -39.36 0.04 OUTLIER Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.23 -0.919 . . . . 0.0 115.129 -177.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.69 169.31 13.94 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.174 -1.192 . . . . 0.0 113.873 -155.536 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.945 HG23 ' HB2' ' B' ' 62' ' ' GLU . 78.5 mt -111.92 137.65 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.07 -1.019 . . . . 0.0 110.297 -177.141 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -124.23 173.5 8.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.653 -1.279 . . . . 0.0 112.756 166.391 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.92 -40.72 57.79 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.441 1.096 . . . . 0.0 112.257 -153.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.29 -77.93 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.692 -1.255 . . . . 0.0 113.737 167.274 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.945 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.1 OUTLIER -31.02 -42.79 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 169.165 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -57.92 -47.81 81.74 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.951 -1.093 . . . . 0.0 112.198 178.549 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.948 ' CD2' ' HG3' ' A' ' 4' ' ' GLU . 29.2 mt -62.28 -22.12 65.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.236 -0.915 . . . . 0.0 111.761 179.593 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -87.1 -51.53 5.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.159 -0.963 . . . . 0.0 109.352 173.365 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.7 ttm -50.19 -15.24 0.21 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 176.494 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mmt -88.59 -69.18 0.72 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 156.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -91.93 -44.06 9.11 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -155.581 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.54 -81.73 0.04 OUTLIER Glycine 0 CA--C 1.572 3.608 0 O-C-N 121.168 -0.957 . . . . 0.0 115.077 -163.275 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.6 t -102.45 134.75 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.255 -1.144 . . . . 0.0 108.525 -177.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -97.48 -120.16 0.13 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.209 -0.932 . . . . 0.0 111.916 -164.649 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.419 0 O-C-N 121.084 -1.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt 78.25 109.29 0.07 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.511 -0.743 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 p -118.56 154.5 32.49 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.311 -0.868 . . . . 0.0 112.414 166.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.6 mm-40 -97.28 18.86 14.15 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.17 -0.956 . . . . 0.0 111.843 173.353 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.63 -75.46 0.2 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -155.084 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.84 66.7 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 178.313 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD21 ' HE3' ' B' ' 67' ' ' MET . 62.0 mt -89.94 -14.92 33.11 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.355 1.062 . . . . 0.0 111.778 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.93 -52.85 8.19 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 161.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -45.85 -44.48 14.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.229 -0.919 . . . . 0.0 113.263 158.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -66.19 -42.58 88.66 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 176.713 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HE2' ' HA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -74.08 -36.96 64.33 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.881 0.872 . . . . 0.0 112.033 -176.353 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -35.72 81.9 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.164 0.986 . . . . 0.0 112.944 169.612 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -76.53 -33.94 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.383 1.073 . . . . 0.0 110.25 -174.741 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.26 -29.13 65.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.314 -0.866 . . . . 0.0 110.417 169.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.46 156.85 37.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.208 -0.933 . . . . 0.0 112.724 -172.803 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.74 -46.71 0.49 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.045 -1.034 . . . . 0.0 109.266 178.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -85.2 -30.31 23.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -171.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.06 65.24 0.05 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 158.227 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.11 13.93 14.83 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.724 1.21 . . . . 0.0 112.655 156.61 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.97 32.29 82.14 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.259 -0.901 . . . . 0.0 115.112 -165.124 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -123.76 159.64 29.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.194 -1.18 . . . . 0.0 111.691 174.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -106.04 150.8 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.948 -1.095 . . . . 0.0 110.273 165.476 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -123.1 158.27 31.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.205 -0.935 . . . . 0.0 112.679 177.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.79 -28.49 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.33 -0.856 . . . . 0.0 110.196 -178.279 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.31 -29.22 57.25 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -178.733 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.692 ' O ' HD13 ' A' ' 30' ' ' ILE . 96.8 mt-10 -77.54 -32.05 53.72 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 167.201 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.973 HD12 HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -44.33 -72.71 0.05 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.296 -0.878 . . . . 0.0 111.915 -177.346 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -39.75 -65.35 0.9 Allowed Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.178 -0.951 . . . . 0.0 115.105 163.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 96.1 mt-10 -61.28 -32.17 72.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.212 -1.17 . . . . 0.0 113.859 -166.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.692 HD13 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -59.94 -59.71 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.141 -0.974 . . . . 0.0 110.239 160.87 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.973 HD23 HD12 ' A' ' 27' ' ' LEU . 3.3 pp -80.88 19.51 0.85 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.012 -1.055 . . . . 0.0 111.757 -172.112 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -129.7 -24.65 2.69 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.065 -1.022 . . . . 0.0 110.867 168.173 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -67.01 176.07 2.26 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -173.576 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.9 p -53.98 110.65 0.62 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.227 -0.92 . . . . 0.0 109.814 -163.537 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.27 -128.7 41.97 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.24 -0.913 . . . . 0.0 115.154 173.14 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.425 0 O-C-N 121.297 -1.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.349 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 55.25 82.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -139.76 174.82 10.13 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.17 -0.956 . . . . 0.0 109.727 169.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -20.63 63.03 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 177.036 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -21.45 64.13 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.34 -29.89 15.4 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.21 -0.931 . . . . 0.0 112.682 177.733 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.3 -30.86 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.064 -1.022 . . . . 0.0 110.223 159.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.65 -32.81 58.22 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 173.977 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -63.29 -34.77 78.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.282 -0.886 . . . . 0.0 112.616 163.762 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -76.31 -43.23 42.24 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.254 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tpt -94.49 18.27 11.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.157 -0.964 . . . . 0.0 112.147 175.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -31.15 6.98 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.224 -0.923 . . . . 0.0 110.08 161.869 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.41 -65.09 0.73 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.949 -1.094 . . . . 0.0 112.457 161.143 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 50' ' ' SER . . . . . 0.586 ' O ' ' HE2' ' B' ' 52' ' ' LYS . 4.7 m -77.01 -21.42 54.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.129 -0.982 . . . . 0.0 112.884 -164.601 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.52 173.17 0.19 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.144 -0.973 . . . . 0.0 112.731 165.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' B' ' 50' ' ' SER . 0.0 OUTLIER -139.96 -109.71 0.15 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.932 -1.105 . . . . 0.0 110.081 170.441 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.12 22.4 0.65 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.692 -1.255 . . . . 0.0 113.828 -169.6 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 73.65 31.05 1.33 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.184 1.394 . . . . 0.0 113.101 170.666 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -92.13 55.33 2.57 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.346 1.059 . . . . 0.0 112.282 153.365 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.62 10.94 0.64 Allowed Glycine 0 CA--C 1.571 3.584 0 N-CA-C 115.842 1.097 . . . . 0.0 115.842 -158.659 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -91.49 139.18 30.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.021 -1.282 . . . . 0.0 113.878 174.421 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.926 HG23 ' HB2' ' B' ' 62' ' ' GLU . 26.7 mt -111.26 159.44 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 124.005 0.922 . . . . 0.0 110.63 -154.115 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.02 -174.17 3.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.095 -1.003 . . . . 0.0 112.815 174.487 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.625 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 1.9 t80 -65.46 -34.33 78.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 112.037 -169.026 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.98 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 124.621 2.153 . . . . 0.0 111.282 168.869 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.7 mt-10 -28.53 -36.08 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 113.885 -1.507 . . . . 0.0 113.781 167.396 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.432 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 2.9 t80 -62.28 -52.61 63.03 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.065 -1.022 . . . . 0.0 112.092 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.11 -47.21 65.41 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 125.189 1.396 . . . . 0.0 111.879 174.261 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -24.19 38.07 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.114 -0.991 . . . . 0.0 109.344 -174.393 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 31.6 ttp -67.96 -54.59 17.42 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 175.668 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.772 ' HE3' HD21 ' A' ' 7' ' ' LEU . 37.0 ttp -64.85 -41.76 95.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.219 -0.925 . . . . 0.0 110.595 176.41 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.72 -79.19 0.06 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 176.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.21 99.43 0.1 OUTLIER Glycine 0 CA--C 1.571 3.577 0 O-C-N 121.168 -0.958 . . . . 0.0 115.097 -168.715 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.38 105.34 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.251 -1.146 . . . . 0.0 108.484 162.683 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -134.79 -29.27 1.16 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.232 -0.917 . . . . 0.0 111.967 165.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.398 0 O-C-N 121.27 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.346 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 tttm 43.05 -148.15 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.475 -0.766 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -73.9 134.45 43.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.224 -0.923 . . . . 0.0 112.441 167.329 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER -162.51 -18.41 0.04 OUTLIER 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.05 -1.032 . . . . 0.0 112.169 -160.717 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.696 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.1 tt0 -30.25 -71.31 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 172.913 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.19 -38.86 75.43 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -164.739 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.776 HD13 ' CD2' ' B' ' 64' ' ' LEU . 33.6 mt -74.05 -18.39 60.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.546 1.139 . . . . 0.0 111.799 168.653 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.97 -60.32 2.59 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 165.505 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -41.98 -54.64 3.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.19 -0.944 . . . . 0.0 113.21 158.875 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.669 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -61.59 -39.11 90.01 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.686 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 51.1 t80 -74.9 -30.8 61.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.213 -0.929 . . . . 0.0 112.092 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -65.01 -46.84 79.72 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.172 0.989 . . . . 0.0 112.897 164.6 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.05 -29.65 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 124.416 1.086 . . . . 0.0 110.215 -166.588 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 13.8 m-30 -70.36 -37.38 74.58 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 124.062 0.945 . . . . 0.0 110.5 168.536 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -64.03 147.64 51.62 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.174 -0.954 . . . . 0.0 112.789 -178.331 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.89 -40.75 3.46 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.111 -0.993 . . . . 0.0 109.279 -177.361 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -108.44 -34.17 6.85 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.808 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.56 48.32 0.12 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 158.806 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.54 17.75 7.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.151 -0.968 . . . . 0.0 112.785 154.459 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.57 -3.22 56.21 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 121.007 -1.058 . . . . 0.0 115.424 164.895 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -119.06 154.57 32.94 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.083 -1.245 . . . . 0.0 111.668 -175.179 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 mm -94.96 125.12 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 C-N-CA 124.448 1.099 . . . . 0.0 110.279 164.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -108.63 178.86 4.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.043 -1.036 . . . . 0.0 112.785 -170.327 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.436 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 2.3 tp -67.81 -39.69 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.166 -0.959 . . . . 0.0 110.252 178.191 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.92 -27.35 63.71 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 30' ' ' ILE . 65.3 mt-10 -71.37 -28.3 63.94 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.621 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' SD ' ' B' ' 47' ' ' MET . 31.0 tp -67.39 -63.06 1.14 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.184 -0.948 . . . . 0.0 111.88 -165.104 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.42 -38.22 41.65 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.208 -0.932 . . . . 0.0 115.143 178.64 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.52 -34.93 35.22 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.18 -1.188 . . . . 0.0 113.854 -172.55 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 26' ' ' GLU . 4.5 mt -51.33 -64.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.158 -0.964 . . . . 0.0 110.175 159.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD21 HG12 ' B' ' 43' ' ' ILE . 4.5 pp -70.77 -0.6 9.27 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.007 -1.058 . . . . 0.0 111.774 -168.104 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -118.03 -75.85 0.58 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 169.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.87 155.65 10.16 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -169.615 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -93.42 24.99 3.62 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.218 -0.926 . . . . 0.0 109.75 170.423 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.03 -95.96 0.01 OUTLIER Glycine 0 CA--C 1.572 3.651 0 O-C-N 121.192 -0.942 . . . . 0.0 115.122 -170.281 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.407 0 O-C-N 121.272 -1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 t 48.88 79.38 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.729 ' O ' HD13 ' B' ' 43' ' ' ILE . 4.7 m -138.93 -125.71 0.12 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.185 -0.947 . . . . 0.0 109.639 -177.142 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -79.78 -28.06 40.34 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.892 -1.13 . . . . 0.0 113.801 162.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.49 -44.72 74.12 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.874 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -52.82 -48.15 67.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.222 -0.924 . . . . 0.0 112.663 165.543 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.729 HD13 ' O ' ' B' ' 39' ' ' THR . 2.0 mp -58.43 -60.46 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.311 -0.868 . . . . 0.0 110.134 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -34.04 77.14 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.975 -1.078 . . . . 0.0 113.742 -168.716 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.37 -34.44 70.45 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.906 0.882 . . . . 0.0 112.686 172.293 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.42 -44.23 96.92 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.644 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.526 ' SD ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -64.9 -35.76 82.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.16 -0.962 . . . . 0.0 112.078 176.927 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -27.08 57.58 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 121.246 -0.909 . . . . 0.0 110.342 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.92 -43.2 83.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.22 -0.925 . . . . 0.0 112.401 174.517 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.3 p -94.76 -26.86 16.08 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.952 . . . . 0.0 112.89 -169.797 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.65 81.17 0.84 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.177 -0.952 . . . . 0.0 112.668 -175.152 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -51.35 -61.45 2.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.224 -0.923 . . . . 0.0 109.929 -172.3 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -59.51 -31.39 69.32 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.921 . . . . 0.0 113.21 -164.162 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 16.0 m120 55.4 44.21 27.51 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 113.275 -172.477 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.26 -50.87 6.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.208 -0.932 . . . . 0.0 112.704 161.677 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -48.78 0.32 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.185 -0.947 . . . . 0.0 115.26 163.794 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -115.78 168.77 9.75 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.343 -1.093 . . . . 0.0 113.818 -161.576 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' B' ' 62' ' ' GLU . 75.2 mt -107.58 148.33 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.042 -1.036 . . . . 0.0 110.205 -172.587 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -105.57 -164.2 1.01 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.019 . . . . 0.0 112.814 170.284 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -67.33 -36.01 80.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.045 -1.034 . . . . 0.0 111.972 173.317 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.86 -84.49 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.696 2.189 . . . . 0.0 111.609 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.842 ' HB2' HG23 ' B' ' 58' ' ' ILE . 54.6 mt-10 -29.3 -34.82 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.75 0 CA-C-N 113.96 -1.473 . . . . 0.0 113.96 166.543 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.686 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 57.0 t80 -62.3 -48.08 81.47 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.982 -1.074 . . . . 0.0 111.703 176.367 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.776 ' CD2' HD13 ' A' ' 7' ' ' LEU . 19.8 mt -58.57 -41.97 86.92 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.205 1.402 . . . . 0.0 111.815 174.864 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -66.15 -33.49 75.88 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.09 -1.006 . . . . 0.0 109.415 173.659 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.581 ' HE2' HD13 ' B' ' 58' ' ' ILE . 9.5 ttm -77.42 -28.8 52.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -173.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.4 ttm -96.7 -17.36 20.38 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 110.558 -178.66 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -75.23 -78.52 0.11 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 159.267 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.34 46.3 2.6 Favored Glycine 0 CA--C 1.571 3.583 0 O-C-N 121.166 -0.959 . . . . 0.0 115.103 -167.523 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.03 98.39 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.275 -1.133 . . . . 0.0 108.53 -178.598 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.57 151.73 35.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.242 -0.911 . . . . 0.0 112.017 165.714 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.413 0 O-C-N 121.221 -0.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.351 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.94 41.57 1.09 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.535 -0.728 . . . . 0.0 110.019 . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -94.3 76.05 3.95 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.299 -0.875 . . . . 0.0 112.352 167.59 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.258 1.6 mm-40 -104.26 -20.47 13.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.269 -0.895 . . . . 0.0 112.002 169.067 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -70.56 -48.7 54.07 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.338 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.05 -31.66 34.39 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.52 HD11 ' SD ' ' B' ' 67' ' ' MET . 0.1 OUTLIER -71.29 -14.57 62.26 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.27 -0.894 . . . . 0.0 111.711 162.015 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -70.75 -68.29 0.44 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 167.289 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -34.21 -54.87 0.51 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.275 -0.891 . . . . 0.0 113.268 159.711 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.46 80.39 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.508 ' HE1' HG12 ' A' ' 22' ' ' ILE . 58.1 t80 -68.44 -37.78 80.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.188 -0.945 . . . . 0.0 112.275 174.6 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.77 -37.91 67.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.157 -0.964 . . . . 0.0 112.928 174.338 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -81.59 -33.22 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 C-N-CA 124.329 1.052 . . . . 0.0 110.151 -168.35 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 30' ' ' ILE . 6.6 m-30 -48.65 -62.85 1.29 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.278 -0.889 . . . . 0.0 110.429 162.608 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.29 141.15 55.94 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.137 -0.977 . . . . 0.0 112.758 -164.752 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -74.28 -61.12 1.97 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 -170.048 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 3.3 p30 -96.95 -27.52 14.61 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -167.766 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.2 52.87 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.184 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -84.26 3.51 35.12 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.23 -0.919 . . . . 0.0 112.98 154.449 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 97.43 5.92 57.73 Favored Glycine 0 CA--C 1.571 3.569 0 O-C-N 120.533 -1.354 . . . . 0.0 115.239 163.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -110.38 160.86 16.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.148 -1.207 . . . . 0.0 111.694 174.712 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.681 HG23 ' CD ' ' A' ' 26' ' ' GLU . 7.5 mm -98.09 123.98 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.128 -0.983 . . . . 0.0 110.242 161.01 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -98.96 165.34 11.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.004 -1.06 . . . . 0.0 112.703 175.506 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -30.95 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.356 -0.84 . . . . 0.0 110.158 178.56 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -29.87 58.41 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -176.799 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.681 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.19 -47.3 80.32 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 121.203 -0.935 . . . . 0.0 113.513 171.182 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.1 tm? -53.48 -61.13 2.5 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.986 1.314 . . . . 0.0 111.93 -167.223 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -40.64 -39.55 1.83 Allowed Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.136 -0.977 . . . . 0.0 115.156 173.834 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.38 -31.42 42.86 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.23 -1.159 . . . . 0.0 113.931 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.601 HG22 HD23 ' A' ' 31' ' ' LEU . 13.1 mt -54.41 -67.31 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.205 -0.934 . . . . 0.0 110.279 161.768 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.652 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.47 -7.8 1.02 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.117 -0.989 . . . . 0.0 111.449 -176.861 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -92.91 -54.42 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.337 -0.852 . . . . 0.0 110.854 167.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.17 -59.95 3.01 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -161.631 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.78 33.91 1.41 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.233 -0.917 . . . . 0.0 109.727 -164.223 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.29 -76.59 0.24 Allowed Glycine 0 CA--C 1.572 3.599 0 O-C-N 121.164 -0.96 . . . . 0.0 115.055 -175.07 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.393 0 O-C-N 121.234 -1.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.06 98.86 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.468 ' O ' HD12 ' B' ' 43' ' ' ILE . 2.0 p -87.64 159.48 18.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.163 -0.961 . . . . 0.0 109.701 159.261 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -63.36 -27.25 69.18 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 178.923 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.2 -44.79 87.23 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 173.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -47.04 85.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.19 -0.943 . . . . 0.0 112.681 174.862 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.468 HD12 ' O ' ' B' ' 39' ' ' THR . 2.5 mp -61.2 -39.81 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.187 -0.946 . . . . 0.0 110.299 178.237 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -35.74 57.32 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 179.359 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.08 -26.86 61.42 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.044 0.938 . . . . 0.0 112.67 174.402 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.7 -43.45 37.58 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.644 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 19.31 0.71 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.084 -1.01 . . . . 0.0 111.968 167.285 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -130.99 -14.45 3.47 Favored 'General case' 0 N--CA 1.498 1.951 0 C-N-CA 123.844 0.858 . . . . 0.0 110.674 162.778 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.84 -42.11 86.29 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.348 -1.47 . . . . 0.0 112.426 162.587 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -105.72 -24.2 12.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.089 -1.007 . . . . 0.0 112.945 -173.257 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.18 36.02 0.5 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.277 -0.889 . . . . 0.0 112.805 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -20.73 60.9 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 109.955 -174.905 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.66 -21.07 24.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.184 -0.947 . . . . 0.0 113.229 -177.269 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.2 m120 44.32 78.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.211 -0.931 . . . . 0.0 113.249 -167.638 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.75 -40.46 0.55 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.187 0.995 . . . . 0.0 112.641 154.411 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.75 -24.63 1.8 Allowed Glycine 0 CA--C 1.571 3.547 0 N-CA-C 115.477 0.951 . . . . 0.0 115.477 175.114 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -135.1 157.58 46.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.999 -1.295 . . . . 0.0 114.215 -154.292 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' B' ' 62' ' ' GLU . 58.8 mt -110.93 151.92 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 C-N-CA 123.985 0.914 . . . . 0.0 110.425 -166.747 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.4 p30 -123.22 165.9 16.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.794 -1.191 . . . . 0.0 112.734 171.41 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -33.36 16.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.975 -1.078 . . . . 0.0 112.077 -166.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.45 -83.59 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.152 0 CA-C-O 124.7 2.19 . . . . 0.0 111.352 168.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.899 ' HB2' HG23 ' B' ' 58' ' ' ILE . 7.8 mm-40 -22.91 -43.77 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.569 165.339 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.401 ' HE1' ' HD2' ' A' ' 14' ' ' PHE . 69.4 t80 -59.92 -46.2 90.14 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.741 0.781 . . . . 0.0 111.841 -179.573 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.11 -46.93 87.97 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.47 1.108 . . . . 0.0 111.907 172.598 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -60.21 -36.61 78.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 176.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 28.9 ttp -76.05 -49.86 16.36 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -172.108 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 67' ' ' MET . . . . . 0.52 ' SD ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.19 -10.91 59.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.301 -0.875 . . . . 0.0 110.612 176.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -71.97 -65.95 0.7 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 158.718 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.56 -67.08 0.24 Allowed Glycine 0 CA--C 1.572 3.602 0 O-C-N 121.17 -0.956 . . . . 0.0 115.115 159.608 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.13 126.79 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.304 -1.115 . . . . 0.0 108.489 167.627 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -64.15 139.43 58.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.217 -0.927 . . . . 0.0 112.005 -165.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.377 0 O-C-N 121.22 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.357 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -147.05 92.69 2.16 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.884 0.874 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -112.84 -11.8 13.4 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.247 -0.908 . . . . 0.0 112.38 163.855 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.9 tt0 -119.75 -42.0 2.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.225 -0.922 . . . . 0.0 111.769 -163.124 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.84 -54.33 35.94 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -162.6 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -24.41 19.94 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -167.45 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -38.49 69.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.142 -0.974 . . . . 0.0 111.742 164.196 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.42 -60.79 3.17 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.3 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -37.31 -52.26 1.08 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.218 -0.926 . . . . 0.0 113.256 162.661 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.82 71.65 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -173.331 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.685 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 2.0 t80 -69.72 -41.34 75.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.331 -0.856 . . . . 0.0 112.049 179.604 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -58.76 -38.78 79.22 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 124.219 1.008 . . . . 0.0 113.027 166.044 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.75 -36.51 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.028 -1.045 . . . . 0.0 110.218 -172.272 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -57.98 -48.33 80.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.836 . . . . 0.0 110.426 172.548 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -73.01 108.75 6.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.259 -0.901 . . . . 0.0 112.77 -170.501 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -23.96 66.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.133 -0.979 . . . . 0.0 109.173 -172.561 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.11 -36.61 10.92 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 179.036 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.23 46.31 25.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.68 -25.21 64.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.233 -0.917 . . . . 0.0 112.721 154.505 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.55 -19.44 3.79 Favored Glycine 0 CA--C 1.572 3.648 0 N-CA-C 115.525 0.97 . . . . 0.0 115.525 179.708 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.72 166.01 11.76 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.25 . . . . 0.0 111.671 -168.38 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.91 155.67 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 C-N-CA 124.332 1.053 . . . . 0.0 110.29 164.826 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -121.92 168.07 12.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.141 -0.974 . . . . 0.0 112.68 172.04 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -31.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.106 -0.996 . . . . 0.0 110.23 174.385 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.95 -32.15 71.54 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.14 -33.73 59.41 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.3 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.655 HD12 HG21 ' B' ' 43' ' ' ILE . 2.5 tm? -47.76 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.576 1.15 . . . . 0.0 111.913 -169.094 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.531 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -40.6 -43.65 3.03 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.122 -0.986 . . . . 0.0 115.036 174.157 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.655 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.65 -31.11 69.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -1.126 . . . . 0.0 113.902 -176.991 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 34' ' ' THR . 4.8 mm -53.67 -69.5 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 158.756 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD23 HG22 ' A' ' 30' ' ' ILE . 1.1 mt -56.63 -16.62 6.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -0.924 . . . . 0.0 111.421 -166.631 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.568 ' NE ' ' H1 ' ' B' ' 37' ' ' ACE . 2.4 tpt180 -126.15 -59.85 1.3 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.356 -0.84 . . . . 0.0 110.905 -179.151 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -71.13 -15.24 62.49 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -154.765 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -76.11 -18.43 59.17 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.154 -0.966 . . . . 0.0 109.743 -157.702 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.88 -70.37 0.21 Allowed Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.204 -0.935 . . . . 0.0 115.096 168.01 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.269 -1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 37' ' ' ACE . . . . . 0.568 ' H1 ' ' NE ' ' A' ' 32' ' ' ARG . . . . . . . . 0 C--O 1.236 0.394 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.527 HG12 ' HD3' ' A' ' 32' ' ' ARG . 0.7 OUTLIER 68.64 165.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 . . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.16 134.02 55.29 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.237 -0.914 . . . . 0.0 109.733 178.55 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.05 -59.1 3.75 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -163.196 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.47 -28.5 69.33 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.926 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.15 -47.55 82.99 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.7 173.408 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.655 HG21 HD12 ' A' ' 27' ' ' LEU . 2.9 mp -78.49 -36.07 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.208 -0.932 . . . . 0.0 110.212 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -39.87 93.07 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 178.826 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 -41.44 81.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.343 -0.848 . . . . 0.0 112.659 169.228 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.33 -45.27 76.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.451 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -47.05 13.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.176 -0.953 . . . . 0.0 112.057 -178.53 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.55 -24.86 67.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.259 -0.901 . . . . 0.0 110.033 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.24 -61.0 2.14 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.886 -1.134 . . . . 0.0 112.476 158.352 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -52.59 -25.75 11.48 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.098 -1.001 . . . . 0.0 112.804 -164.073 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.34 -163.24 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.268 -0.895 . . . . 0.0 112.723 172.698 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -73.4 0.63 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.236 -0.915 . . . . 0.0 110.05 154.811 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.47 11.32 2.06 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -161.381 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.09 32.92 19.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.068 -1.02 . . . . 0.0 113.202 -173.046 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.78 63.87 1.72 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.047 0.939 . . . . 0.0 112.613 154.355 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.59 -32.4 2.87 Favored Glycine 0 CA--C 1.571 3.589 0 O-C-N 121.298 -0.876 . . . . 0.0 115.224 -162.446 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 131.38 32.31 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.175 -1.191 . . . . 0.0 113.859 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.903 HG23 ' HB2' ' B' ' 62' ' ' GLU . 53.6 mt -105.96 145.78 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.208 -0.932 . . . . 0.0 110.2 -158.139 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -120.22 176.93 5.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.958 -1.089 . . . . 0.0 112.838 167.422 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.459 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -59.1 -36.56 75.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.046 -1.034 . . . . 0.0 111.957 -157.804 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -77.58 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.573 1.149 . . . . 0.0 113.821 167.168 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.903 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.0 mm-40 -31.01 -43.58 0.05 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 168.228 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.685 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 44.2 t80 -57.77 -46.31 84.73 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.188 -0.945 . . . . 0.0 111.86 179.224 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.82 -32.97 74.91 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.278 -0.889 . . . . 0.0 111.763 -176.219 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.55 -36.72 21.94 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 -178.268 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 2.5 ttm -53.48 -50.54 65.12 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.235 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -54.45 18.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.262 -0.899 . . . . 0.0 110.541 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -40.53 22.6 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -166.457 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.94 -161.55 20.16 Favored Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.137 -0.977 . . . . 0.0 115.105 165.181 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 p -94.36 132.28 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.174 -1.192 . . . . 0.0 108.539 -174.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -90.53 17.67 7.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.181 -0.949 . . . . 0.0 111.958 176.504 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.411 0 O-C-N 121.248 -0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -90.73 104.65 17.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.523 -0.736 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -79.34 85.5 5.16 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.186 -0.946 . . . . 0.0 112.427 -160.539 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -117.35 42.54 2.54 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.254 -0.904 . . . . 0.0 111.721 169.803 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.91 -68.27 0.34 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.23 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -25.92 53.92 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -171.148 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mp -74.92 -21.95 58.9 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.134 0.974 . . . . 0.0 111.743 169.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.32 -56.4 6.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 164.527 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -39.29 -60.38 0.92 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.218 -0.926 . . . . 0.0 113.203 163.948 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.48 -43.51 79.71 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.843 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.2 -44.78 94.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.133 -0.979 . . . . 0.0 112.32 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -30.77 43.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.13 -0.981 . . . . 0.0 112.868 178.089 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -66.3 -37.77 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 124.198 0.999 . . . . 0.0 110.334 176.695 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -63.61 -30.68 71.76 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.967 0.907 . . . . 0.0 110.396 -174.059 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -74.18 133.38 42.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.229 -0.919 . . . . 0.0 112.808 -163.419 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -69.23 -58.4 4.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.189 -0.944 . . . . 0.0 109.298 175.641 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 8.6 t-20 -88.51 -28.94 20.47 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.574 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.18 50.03 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 167.624 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.29 10.38 34.37 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.205 -0.935 . . . . 0.0 112.712 160.411 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.15 17.12 67.76 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.083 -1.01 . . . . 0.0 115.099 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -116.24 164.13 14.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.281 -1.129 . . . . 0.0 111.672 -176.398 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.664 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -102.49 131.66 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.126 -0.984 . . . . 0.0 110.288 163.581 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 162.12 14.18 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.186 -0.946 . . . . 0.0 112.641 -178.762 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -12.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.9 . . . . 0.0 110.488 174.194 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -77.76 -37.1 49.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.559 -1.338 . . . . 0.0 113.742 169.656 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.664 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -75.22 -48.38 23.72 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -173.27 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 31' ' ' LEU . 2.4 tm? -36.79 -69.4 0.11 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.078 1.351 . . . . 0.0 112.075 177.225 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.538 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -56.8 -41.84 91.24 Favored Glycine 0 CA--C 1.571 3.545 0 O-C-N 121.097 -1.002 . . . . 0.0 115.147 -169.074 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -33.93 59.1 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.2 -1.176 . . . . 0.0 113.869 -178.745 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.16 -66.5 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 164.58 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.3 pp -59.15 -13.21 6.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.987 -1.07 . . . . 0.0 111.686 -169.637 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' N ' HD12 ' A' ' 31' ' ' LEU . 2.3 tpp85 -96.11 -37.93 10.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.149 -0.969 . . . . 0.0 110.779 172.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -147.5 148.39 31.16 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -165.17 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -133.18 153.86 51.15 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.24 -0.912 . . . . 0.0 109.86 -166.439 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.58 -173.37 25.99 Favored Glycine 0 CA--C 1.572 3.611 0 O-C-N 121.167 -0.958 . . . . 0.0 115.068 160.082 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.436 0 O-C-N 121.194 -1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.616 HG23 ' CB ' ' B' ' 42' ' ' ASP . 1.3 p -155.54 134.15 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -163.57 0.75 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.208 -0.932 . . . . 0.0 109.701 -167.275 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -32.91 65.05 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 160.517 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.97 -20.89 66.72 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.616 ' CB ' HG23 ' B' ' 38' ' ' VAL . 4.5 m-20 -78.99 -41.18 29.66 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.247 -0.908 . . . . 0.0 112.712 179.32 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.573 HG12 HD11 ' A' ' 27' ' ' LEU . 6.2 mt -58.2 -52.41 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.142 -0.974 . . . . 0.0 110.221 164.477 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.23 -30.75 71.66 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.74 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.95 -28.48 57.96 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.045 0.938 . . . . 0.0 112.7 174.281 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.73 -47.03 56.54 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 167.622 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -86.57 19.38 2.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.852 -1.155 . . . . 0.0 112.076 170.897 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -48.12 4.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.233 -0.917 . . . . 0.0 109.86 157.205 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.56 -49.37 63.57 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.346 -0.846 . . . . 0.0 112.494 -173.189 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -13.89 59.87 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.263 -0.898 . . . . 0.0 113.053 172.802 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -82.14 16.12 2.09 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.151 -0.968 . . . . 0.0 112.655 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' B' ' 53' ' ' ASN . 0.0 OUTLIER -60.4 -43.64 96.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.21 -0.931 . . . . 0.0 109.971 -166.071 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 53' ' ' ASN . . . . . 0.437 ' N ' ' HG2' ' B' ' 52' ' ' LYS . 9.1 p30 -71.59 -1.17 12.63 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -168.791 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 62.4 41.68 9.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.752 -1.217 . . . . 0.0 113.232 -176.763 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -109.99 75.23 0.93 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.954 1.301 . . . . 0.0 112.637 154.176 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.97 2.56 0.03 OUTLIER Glycine 0 CA--C 1.571 3.541 0 O-C-N 121.278 -0.889 . . . . 0.0 115.158 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.5 146.64 41.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.277 -1.131 . . . . 0.0 113.843 157.119 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.849 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.2 mt -104.5 151.89 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.231 -162.148 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -111.51 -170.57 1.67 Allowed 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.38 1.072 . . . . 0.0 112.81 164.336 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.63 -29.93 67.53 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.817 -1.177 . . . . 0.0 112.065 -171.621 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.93 -83.02 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.122 0 CA-C-O 124.748 2.213 . . . . 0.0 111.41 169.871 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.849 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.8 mp0 -21.02 -44.18 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.666 162.469 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.87 -51.03 71.44 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.823 0.82 . . . . 0.0 111.642 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.05 -31.55 70.08 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.649 1.18 . . . . 0.0 111.817 176.132 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -37.59 69.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.112 -0.993 . . . . 0.0 109.294 171.956 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.616 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.5 ttp -74.18 -31.31 62.63 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -82.19 0.05 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.22 -0.925 . . . . 0.0 110.585 160.427 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -44.3 97.23 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -164.495 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.1 -94.33 0.07 OUTLIER Glycine 0 CA--C 1.573 3.677 0 N-CA-C 115.84 1.096 . . . . 0.0 115.84 154.074 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.56 102.67 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.508 1.123 . . . . 0.0 109.082 -153.739 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -36.26 112.18 0.17 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.417 -0.802 . . . . 0.0 111.843 155.521 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.377 0 O-C-N 121.247 -0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.37 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -132.62 52.47 2.08 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.547 -0.72 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -155.47 -76.32 0.1 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.341 -0.849 . . . . 0.0 112.355 -173.918 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.1 OUTLIER -83.71 -19.36 35.37 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.326 -0.859 . . . . 0.0 112.159 169.222 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.99 -37.0 85.39 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.821 -1.174 . . . . 0.0 113.863 -161.136 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -46.1 13.58 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -177.574 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.669 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -63.17 -13.14 33.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.175 -0.953 . . . . 0.0 111.785 166.454 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.77 -46.43 11.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 171.408 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -50.94 -43.3 60.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.264 -0.898 . . . . 0.0 113.243 162.639 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.9 56.06 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.655 ' HE1' HG13 ' A' ' 22' ' ' ILE . 16.7 t80 -68.44 -35.42 77.58 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.232 -0.918 . . . . 0.0 112.205 173.633 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -66.18 -40.38 90.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.927 165.549 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -71.57 -28.17 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 124.328 1.051 . . . . 0.0 110.272 -173.218 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' HD2' ' CE2' ' B' ' 63' ' ' PHE . 5.5 m-85 -73.8 -43.53 58.61 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.059 0.944 . . . . 0.0 110.412 174.436 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -70.57 125.07 25.78 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.227 -0.92 . . . . 0.0 112.786 -175.061 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.93 83.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.066 -1.022 . . . . 0.0 109.221 -165.723 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -114.16 0.47 14.25 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.28 46.99 12.03 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 163.183 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -87.26 8.63 23.33 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.216 -0.928 . . . . 0.0 112.677 161.407 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.05 35.15 71.1 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.19 -0.944 . . . . 0.0 115.141 -178.221 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.23 158.57 33.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.294 -1.121 . . . . 0.0 111.629 169.824 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.655 HG13 ' HE1' ' A' ' 11' ' ' PHE . 1.8 mt -109.1 153.16 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.015 -1.053 . . . . 0.0 110.22 160.109 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -129.54 167.61 17.64 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.031 -1.043 . . . . 0.0 112.726 168.686 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.539 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -61.18 -30.46 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.256 -0.903 . . . . 0.0 110.156 -178.806 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -23.09 39.48 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.873 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.77 -29.05 61.0 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 164.225 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 27' ' ' LEU . 2.1 tt -63.57 -70.06 0.24 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.105 -0.997 . . . . 0.0 111.872 -163.078 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.65 -28.79 47.08 Favored Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.223 -0.923 . . . . 0.0 115.118 178.663 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.79 -45.74 88.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -1.168 . . . . 0.0 113.908 171.186 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -50.73 -57.27 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.147 -0.971 . . . . 0.0 110.203 168.193 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -60.95 -15.76 34.91 Favored 'General case' 0 CA--C 1.574 1.895 0 O-C-N 121.134 -0.979 . . . . 0.0 111.42 -176.577 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -119.28 -2.11 10.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.234 -0.916 . . . . 0.0 111.392 -177.293 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.3 -24.89 1.34 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 178.739 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.7 p -77.54 151.55 34.47 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.107 -0.996 . . . . 0.0 109.725 -172.112 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.11 -142.35 6.64 Favored Glycine 0 CA--C 1.571 3.559 0 O-C-N 121.157 -0.964 . . . . 0.0 115.091 161.812 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.394 0 O-C-N 121.216 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.338 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -89.66 162.29 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 12.2 p -130.99 -177.87 4.57 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.172 -0.955 . . . . 0.0 109.704 169.649 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -31.76 73.04 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 175.359 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -16.11 61.82 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.365 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.88 -33.85 22.71 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.227 -0.921 . . . . 0.0 112.698 168.725 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 24' ' ' ILE . 9.1 mm -57.58 -39.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.069 -1.02 . . . . 0.0 110.226 161.808 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -34.38 71.31 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.731 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -59.58 -48.61 80.99 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.0 112.679 167.109 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -74.11 -45.19 50.57 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.661 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -86.73 5.62 35.41 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.045 -1.035 . . . . 0.0 112.159 -179.518 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -33.04 12.0 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.257 -0.902 . . . . 0.0 110.084 157.071 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.15 -23.94 65.84 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.565 -0.71 . . . . 0.0 112.442 -178.78 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -102.11 -43.87 5.62 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.338 -0.851 . . . . 0.0 112.923 171.851 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.89 -3.32 50.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.222 -0.924 . . . . 0.0 112.755 -155.202 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 16.51 0.14 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.136 -0.978 . . . . 0.0 110.497 -161.092 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.58 9.18 1.14 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 113.612 164.114 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 m120 60.23 35.87 20.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.916 -1.115 . . . . 0.0 113.27 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.71 67.06 0.75 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.001 1.32 . . . . 0.0 112.565 154.541 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.4 1.05 Allowed Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.183 0.833 . . . . 0.0 115.183 -166.203 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -101.72 154.89 18.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -1.172 . . . . 0.0 113.821 174.526 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.955 HG23 ' HB2' ' B' ' 62' ' ' GLU . 14.2 mt -107.34 149.72 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.171 -0.955 . . . . 0.0 110.195 -154.454 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -125.06 -175.85 3.41 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.095 -1.003 . . . . 0.0 112.866 169.585 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.463 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -59.46 -40.81 88.06 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.79 -1.194 . . . . 0.0 112.322 -163.801 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -78.46 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.768 -1.207 . . . . 0.0 113.604 166.124 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.955 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.5 mt-10 -34.27 -39.86 0.08 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 172.449 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.597 ' CE2' ' HD2' ' A' ' 14' ' ' PHE . 52.4 t80 -57.02 -54.01 51.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.596 -1.315 . . . . 0.0 112.175 175.536 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 7' ' ' LEU . 53.1 mt -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.302 -0.874 . . . . 0.0 111.767 -178.408 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -81.48 -44.6 17.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -178.284 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 14.8 ttp -60.3 -33.57 72.56 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -85.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.191 -0.943 . . . . 0.0 110.531 161.447 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -94.51 -20.35 19.73 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -155.456 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.79 4.47 57.8 Favored Glycine 0 CA--C 1.572 3.644 0 O-C-N 121.179 -0.95 . . . . 0.0 115.141 -162.167 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.448 ' O ' HG12 ' B' ' 70' ' ' VAL . 0.9 OUTLIER -109.51 99.79 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.234 -1.157 . . . . 0.0 108.498 -158.356 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -143.79 -80.3 0.19 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.231 -0.918 . . . . 0.0 111.98 -176.038 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.474 0 O-C-N 121.132 -0.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.377 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 165.53 27.27 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.307 1.043 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.2 95.88 7.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.328 -0.857 . . . . 0.0 112.389 178.255 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.5 tt0 -56.73 -24.89 52.89 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.191 -0.943 . . . . 0.0 111.935 176.809 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.804 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.0 tt0 -55.38 -44.33 75.97 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -157.522 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.66 -51.94 8.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.403 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.932 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -46.92 -46.15 21.09 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.144 -0.973 . . . . 0.0 111.675 160.222 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -42.24 -69.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 166.417 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -48.33 -48.94 35.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.198 -0.939 . . . . 0.0 113.254 178.571 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.08 70.82 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.438 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 69.7 t80 -72.41 -30.81 64.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.132 -0.98 . . . . 0.0 112.132 173.504 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -69.31 -49.86 51.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.108 -0.995 . . . . 0.0 112.869 162.724 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.125 0.97 . . . . 0.0 110.306 -167.527 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' A' ' 30' ' ' ILE . 12.8 m-85 -63.0 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.28 -0.888 . . . . 0.0 110.395 162.202 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -46.7 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.191 -0.943 . . . . 0.0 112.846 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 36.59 0.97 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.14 -0.975 . . . . 0.0 109.408 -165.345 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -165.02 -32.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.387 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.13 37.45 0.98 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 157.669 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -54.58 -28.85 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.22 -0.925 . . . . 0.0 112.748 156.517 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.97 -39.05 0.96 Allowed Glycine 0 CA--C 1.572 3.627 0 O-C-N 121.202 -0.936 . . . . 0.0 115.138 -179.515 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -109.82 173.27 6.4 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.256 -1.143 . . . . 0.0 111.774 -158.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' B' ' 63' ' ' PHE . 18.1 mt -112.87 141.65 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.955 -1.091 . . . . 0.0 110.297 164.617 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.85 164.43 20.04 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.16 -0.963 . . . . 0.0 112.699 -169.346 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.81 -21.76 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.198 -0.939 . . . . 0.0 110.339 -179.274 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.9 -31.59 63.19 Favored 'General case' 0 CA--C 1.573 1.827 0 O-C-N 120.899 -1.126 . . . . 0.0 113.715 169.951 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -74.05 -29.36 61.86 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 165.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 28' ' ' GLY . 2.2 tm? -51.78 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.109 0.964 . . . . 0.0 111.903 -178.149 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -51.69 -29.81 26.45 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.138 -0.976 . . . . 0.0 115.11 -177.14 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 10.4 tt0 -80.49 -29.42 37.37 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -1.131 . . . . 0.0 113.866 -179.206 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 14' ' ' PHE . 61.8 mt -53.81 -71.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.216 -0.928 . . . . 0.0 110.248 155.391 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.21 -11.81 58.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.192 -0.942 . . . . 0.0 111.728 -163.729 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -106.38 -20.41 13.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 110.833 174.547 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -39.43 150.32 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 179.541 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -82.46 -171.37 3.43 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.165 -0.959 . . . . 0.0 109.752 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.32 24.87 32.64 Favored Glycine 0 CA--C 1.572 3.622 0 O-C-N 121.2 -0.938 . . . . 0.0 115.076 -157.01 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.366 0 O-C-N 121.268 -1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.329 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 t 74.14 98.68 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.73 -156.75 0.75 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.169 -0.957 . . . . 0.0 109.728 -166.842 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.87 -25.56 68.35 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -165.273 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -67.18 -49.68 63.77 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.022 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.99 -42.97 99.99 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 112.638 178.4 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.442 HG21 HD12 ' A' ' 27' ' ' LEU . 5.5 mm -65.46 -32.42 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.255 -0.903 . . . . 0.0 110.272 176.605 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -41.51 92.35 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.153 -0.967 . . . . 0.0 113.555 168.234 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.46 -40.33 68.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.391 -0.818 . . . . 0.0 112.651 172.852 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -51.64 66.85 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 162.325 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.48 20.73 1.62 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.83 -1.169 . . . . 0.0 112.049 -166.433 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -136.81 -26.67 1.05 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.462 -0.773 . . . . 0.0 110.819 160.474 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.55 -25.27 66.04 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.091 -1.006 . . . . 0.0 112.251 167.366 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -98.31 -59.7 1.7 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.399 -0.813 . . . . 0.0 112.973 158.696 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.25 142.78 30.88 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.276 -0.89 . . . . 0.0 112.868 -154.311 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 115.06 18.35 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.138 -0.976 . . . . 0.0 109.865 153.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.39 -57.77 4.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 113.148 -154.596 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 42.74 89.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -157.75 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 0.83 54.29 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.725 -152.682 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.14 40.27 8.07 Favored Glycine 0 CA--C 1.572 3.616 0 O-C-N 121.236 -0.915 . . . . 0.0 115.134 154.437 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -141.92 136.55 30.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.248 -1.148 . . . . 0.0 113.927 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.734 HG23 ' HB2' ' B' ' 62' ' ' GLU . 74.3 mt -110.43 139.18 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.229 -0.919 . . . . 0.0 110.307 -169.524 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -115.68 177.39 4.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.903 -1.123 . . . . 0.0 112.804 167.698 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.414 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -59.48 -37.2 77.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.848 -1.158 . . . . 0.0 112.196 -161.9 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.57 -78.9 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.688 0 O-C-N 120.849 -1.157 . . . . 0.0 113.746 164.659 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.734 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.2 mt-10 -35.05 -31.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 171.52 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.687 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 38.1 t80 -62.05 -54.02 47.29 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.49 -1.382 . . . . 0.0 111.978 172.552 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.932 HD23 HD12 ' A' ' 7' ' ' LEU . 62.6 mt -59.13 -28.1 66.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 111.773 -177.115 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -88.33 -41.59 12.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.174 -0.954 . . . . 0.0 109.362 -178.8 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.3 ttp -50.61 -41.31 54.73 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 170.119 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.5 tpt -79.83 -60.83 2.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.919 . . . . 0.0 110.555 175.469 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.99 -20.58 13.49 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -159.476 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -32.01 148.24 0.01 OUTLIER Glycine 0 CA--C 1.572 3.599 0 O-C-N 121.158 -0.964 . . . . 0.0 115.128 164.394 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -119.43 154.09 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.275 -1.132 . . . . 0.0 108.494 158.277 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -120.12 22.28 11.48 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.147 -0.97 . . . . 0.0 112.127 176.591 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.396 0 O-C-N 121.222 -0.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -87.78 168.4 12.98 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.562 -0.711 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 p -41.76 98.42 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.235 -0.916 . . . . 0.0 112.349 168.154 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 4.7 pt-20 -156.55 -34.72 0.08 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.238 -0.914 . . . . 0.0 111.87 165.203 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.89 -17.92 56.77 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.361 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.62 -19.54 18.23 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 178.023 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 1.1 mt -73.09 -17.31 61.42 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.985 0.914 . . . . 0.0 111.754 155.312 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.09 -34.69 22.17 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 170.386 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -70.41 -31.81 69.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.214 -0.929 . . . . 0.0 113.291 163.596 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.99 -41.7 74.05 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.543 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.716 ' HE1' HG13 ' A' ' 22' ' ' ILE . 5.9 t80 -70.81 -37.85 73.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.303 -0.873 . . . . 0.0 112.06 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 112.881 164.561 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -64.34 -31.24 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 123.952 0.901 . . . . 0.0 110.343 -171.461 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 30' ' ' ILE . 3.1 m-30 -70.74 -35.82 72.85 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.395 173.102 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -78.31 102.33 7.63 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.212 -0.93 . . . . 0.0 112.849 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.77 21.85 6.11 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.153 -0.967 . . . . 0.0 109.784 -168.02 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.3 OUTLIER -139.26 -27.45 0.8 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 168.338 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 81.63 54.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 156.524 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.16 11.47 31.26 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.423 1.089 . . . . 0.0 112.715 158.93 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.31 71.43 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.071 -1.018 . . . . 0.0 115.15 175.287 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.54 169.43 10.68 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.258 -1.142 . . . . 0.0 111.719 178.081 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' HE1' ' A' ' 11' ' ' PHE . 8.0 mt -113.22 160.61 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.193 -0.942 . . . . 0.0 110.233 163.887 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.27 167.41 10.21 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.12 -0.987 . . . . 0.0 112.679 167.161 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.646 HD12 ' SD ' ' B' ' 47' ' ' MET . 3.3 tt -62.19 -30.56 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.097 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -74.14 -33.92 63.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.648 ' O ' HD13 ' A' ' 30' ' ' ILE . 62.6 mt-10 -70.78 -36.64 73.15 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 170.733 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -43.34 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.904 . . . . 0.0 111.903 -179.656 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.23 -43.51 4.64 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.177 -0.952 . . . . 0.0 115.134 -172.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -27.9 48.68 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.245 -1.15 . . . . 0.0 113.925 -173.349 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -53.58 -60.46 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.244 -0.91 . . . . 0.0 110.174 156.594 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -54.66 -31.98 58.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.146 -0.971 . . . . 0.0 111.367 -173.523 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HD2' HG21 ' B' ' 38' ' ' VAL . 0.3 OUTLIER -79.01 -54.41 6.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.819 . . . . 0.0 110.774 -176.83 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.82 -162.61 0.5 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -169.231 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 p -138.45 -54.2 0.62 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.238 -0.914 . . . . 0.0 109.835 -162.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.74 154.09 21.32 Favored Glycine 0 CA--C 1.571 3.589 0 O-C-N 121.205 -0.935 . . . . 0.0 115.109 -165.436 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.381 0 O-C-N 121.207 -1.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.429 HG21 ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -148.27 97.49 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 . . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -88.95 166.03 14.2 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.26 -0.9 . . . . 0.0 109.762 -172.175 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.446 ' N ' ' CG2' ' B' ' 39' ' ' THR . 7.6 mm-40 -60.69 -58.18 9.55 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 166.059 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.66 -19.03 64.57 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.57 -42.21 15.69 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 112.64 178.372 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.04 -26.75 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.265 -0.897 . . . . 0.0 110.278 167.352 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -31.82 36.57 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 173.247 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.36 -41.95 99.01 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.244 -0.91 . . . . 0.0 112.666 169.595 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -76.68 -43.86 36.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.242 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.646 ' SD ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -86.56 13.71 8.04 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 112.224 178.36 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -28.55 7.68 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.219 -0.926 . . . . 0.0 110.113 163.697 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.34 -38.54 85.02 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.859 -1.151 . . . . 0.0 112.474 165.024 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.9 t -101.82 -28.53 12.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.24 -0.913 . . . . 0.0 112.837 -168.546 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.12 99.71 0.1 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.265 -0.897 . . . . 0.0 112.719 178.64 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -60.28 -75.18 0.06 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.238 -0.914 . . . . 0.0 109.987 169.548 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -68.96 -3.8 14.24 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.25 -0.906 . . . . 0.0 113.308 -156.254 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.9 m120 50.52 25.82 2.14 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.082 -1.011 . . . . 0.0 113.289 177.619 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.23 -17.71 23.35 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.257 -0.902 . . . . 0.0 112.812 163.14 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.34 19.82 17.42 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 120.889 -1.132 . . . . 0.0 115.225 170.16 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.6 147.93 28.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.16 -1.2 . . . . 0.0 113.849 -168.464 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.722 HG23 ' HB2' ' B' ' 62' ' ' GLU . 61.0 mt -108.36 155.83 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.162 -0.961 . . . . 0.0 110.154 -160.103 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -131.28 -173.2 3.04 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.186 0.994 . . . . 0.0 112.783 165.164 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.546 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 3.9 t80 -64.55 -40.31 95.34 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.797 -1.189 . . . . 0.0 112.116 -156.094 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -76.82 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.689 0 O-C-N 120.852 -1.155 . . . . 0.0 113.551 166.079 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.722 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.3 OUTLIER -29.13 -49.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 169.24 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -53.45 -45.57 69.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.447 -0.783 . . . . 0.0 112.194 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.74 -35.1 78.68 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.219 -0.925 . . . . 0.0 111.784 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -88.98 -40.94 12.67 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.158 -0.963 . . . . 0.0 109.35 -171.577 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -17.82 41.73 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 168.817 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -77.1 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.191 -0.943 . . . . 0.0 110.559 171.119 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.29 -37.63 83.89 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -174.828 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.4 70.2 0.85 Allowed Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.231 -0.918 . . . . 0.0 115.075 161.312 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -86.97 171.53 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.297 -1.119 . . . . 0.0 108.528 -169.241 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -140.04 140.14 36.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.208 -0.932 . . . . 0.0 111.991 157.101 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.382 0 O-C-N 121.212 -0.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.294 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -83.13 105.97 14.54 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.546 -0.722 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 t -110.48 -74.22 0.66 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.291 -0.881 . . . . 0.0 112.389 -160.76 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.6 pt-20 -157.11 -33.42 0.08 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.228 -0.92 . . . . 0.0 111.824 -164.366 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.775 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.5 tt0 -54.02 -30.3 47.05 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -165.764 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -86.14 -56.02 3.65 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -172.264 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD22 HD23 ' B' ' 64' ' ' LEU . 2.9 mp -52.1 -13.96 0.37 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.23 -0.919 . . . . 0.0 111.769 158.096 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -76.49 -50.17 14.68 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 168.887 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.77 -43.85 94.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 113.203 168.223 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -36.43 84.06 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 176.581 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.781 ' HE1' HG13 ' A' ' 22' ' ' ILE . 4.9 t80 -72.78 -34.6 67.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.289 -0.882 . . . . 0.0 112.181 177.364 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -62.03 -44.98 95.54 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.209 -0.932 . . . . 0.0 112.94 161.196 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -79.3 -33.01 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 C-N-CA 124.41 1.084 . . . . 0.0 110.181 -163.701 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CD2' ' HE1' ' B' ' 63' ' ' PHE . 6.9 m-30 -55.43 -39.89 70.84 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.271 -0.893 . . . . 0.0 110.41 166.766 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -78.47 138.6 38.53 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.179 -0.951 . . . . 0.0 112.807 -168.124 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.71 ' HG2' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.05 -63.95 0.95 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.088 -1.007 . . . . 0.0 109.26 165.775 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.71 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 48.5 t-20 -90.31 -36.93 14.39 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -156.914 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 73.33 36.72 0.79 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 170.315 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.02 4.49 8.27 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.285 -0.884 . . . . 0.0 112.957 155.495 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.83 -4.99 57.94 Favored Glycine 0 CA--C 1.57 3.514 0 O-C-N 120.721 -1.237 . . . . 0.0 115.359 167.683 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -118.13 152.41 35.67 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.087 -1.243 . . . . 0.0 111.757 -175.645 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.781 HG13 ' HE1' ' A' ' 11' ' ' PHE . 5.6 mt -104.09 133.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.074 -1.016 . . . . 0.0 110.28 165.904 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -102.23 168.83 9.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.149 -0.969 . . . . 0.0 112.79 178.394 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -66.03 -25.15 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.283 -0.886 . . . . 0.0 110.364 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.21 -40.19 90.17 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.856 -1.153 . . . . 0.0 113.645 169.547 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -43.53 76.72 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 177.447 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -47.44 -70.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.48 1.112 . . . . 0.0 111.954 -175.872 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.691 ' HA2' HD12 ' A' ' 31' ' ' LEU . . . -27.79 -52.82 0.1 OUTLIER Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.098 -1.001 . . . . 0.0 115.152 163.184 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -73.08 -30.29 63.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.286 -1.126 . . . . 0.0 113.868 -172.628 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -60.76 -61.3 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.224 -0.923 . . . . 0.0 110.254 165.705 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.691 HD12 ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.46 -31.39 23.11 Favored 'General case' 0 CA--C 1.575 1.913 0 O-C-N 121.206 -0.934 . . . . 0.0 111.317 -178.683 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -101.35 -32.63 10.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.4 -0.813 . . . . 0.0 110.84 -165.23 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.23 145.39 41.09 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.394 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.6 t -162.86 55.09 0.2 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.21 -0.931 . . . . 0.0 109.757 164.281 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.61 116.8 1.1 Allowed Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.258 -0.902 . . . . 0.0 115.128 -168.227 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.26 -1.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 90.1 t 59.58 78.52 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.404 ' O ' HD13 ' B' ' 43' ' ' ILE . 81.4 p -141.22 -178.0 5.39 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.236 -0.915 . . . . 0.0 109.733 -167.171 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -29.7 36.79 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.013 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.99 -31.69 71.58 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -179.242 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.59 -42.96 93.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.951 . . . . 0.0 112.659 163.642 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.404 HD13 ' O ' ' B' ' 39' ' ' THR . 1.4 mp -62.53 -39.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.148 -0.97 . . . . 0.0 110.26 174.759 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.2 77.39 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.502 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -70.08 -47.71 60.77 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 123.873 0.869 . . . . 0.0 112.7 175.039 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -58.55 -44.07 89.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.549 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -68.89 -36.58 78.24 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.188 -0.945 . . . . 0.0 112.091 179.376 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -31.45 72.08 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.111 0.964 . . . . 0.0 110.245 172.447 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -60.7 -70.68 0.16 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.477 -0.764 . . . . 0.0 112.371 172.996 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -59.16 -31.3 68.85 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.185 -0.947 . . . . 0.0 112.71 -176.683 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -75.61 142.95 42.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.185 -0.947 . . . . 0.0 112.675 -173.117 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -160.5 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.217 -0.927 . . . . 0.0 109.91 154.858 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.91 -56.58 4.61 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.171 -0.956 . . . . 0.0 113.107 -170.138 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.22 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 157.449 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -34.35 -34.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.629 1.172 . . . . 0.0 112.8 166.79 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.15 -66.44 0.08 OUTLIER Glycine 0 CA--C 1.57 3.494 0 O-C-N 121.013 -1.054 . . . . 0.0 115.369 167.511 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 mtm-85 -93.21 167.59 11.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.069 -1.253 . . . . 0.0 114.163 -154.198 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.962 HG23 ' HB2' ' B' ' 62' ' ' GLU . 21.4 mt -109.05 138.72 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 C-N-CA 124.013 0.925 . . . . 0.0 110.311 -169.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -130.08 179.64 5.76 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.033 -1.042 . . . . 0.0 112.884 174.543 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.54 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -55.8 -39.9 71.97 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.702 -1.249 . . . . 0.0 112.208 -154.506 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.71 -76.73 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.717 -1.239 . . . . 0.0 113.584 163.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.962 ' HB2' HG23 ' B' ' 58' ' ' ILE . 2.9 mm-40 -32.36 -47.42 0.15 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 169.069 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.404 ' HE1' ' CD2' ' A' ' 14' ' ' PHE . 63.7 t80 -54.21 -43.03 70.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.087 -1.008 . . . . 0.0 112.199 179.539 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.415 HD23 HD22 ' A' ' 7' ' ' LEU . 32.8 mt -66.08 -41.21 91.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.235 -0.916 . . . . 0.0 111.772 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -75.89 -39.4 56.48 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.209 -0.932 . . . . 0.0 109.312 -176.198 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 33.4 ttp -68.08 -22.9 64.89 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 174.138 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 6.0 tpt -74.56 -38.3 62.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.187 -0.946 . . . . 0.0 110.545 171.468 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -80.84 -28.14 36.22 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.096 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.07 88.0 0.18 Allowed Glycine 0 CA--C 1.572 3.627 0 O-C-N 121.264 -0.897 . . . . 0.0 115.157 159.45 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.03 155.02 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.299 -1.118 . . . . 0.0 108.482 -173.33 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -164.63 111.38 1.02 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.217 -0.927 . . . . 0.0 111.936 -164.423 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.406 0 O-C-N 121.178 -0.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -149.43 93.83 2.12 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.514 -0.741 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p -75.75 99.74 4.49 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.177 -0.952 . . . . 0.0 112.419 -172.212 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER -82.52 12.25 4.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.325 -0.86 . . . . 0.0 111.933 -169.847 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.71 -57.55 10.41 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 167.255 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.67 -33.75 68.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -175.096 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.671 HD12 ' CD2' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -74.15 -28.05 61.13 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.213 1.005 . . . . 0.0 111.746 171.921 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.03 17.18 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 168.626 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -45.21 -49.09 12.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.278 -0.888 . . . . 0.0 113.24 164.554 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.24 79.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 175.215 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.742 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 79.4 t80 -69.95 -44.02 70.39 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.296 -0.877 . . . . 0.0 112.185 -178.932 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -56.85 -51.3 69.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.189 -0.944 . . . . 0.0 112.885 164.041 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.69 -29.27 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 C-N-CA 123.819 0.848 . . . . 0.0 110.327 -169.48 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.73 -53.62 12.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.299 -0.876 . . . . 0.0 110.408 177.609 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.28 124.36 24.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.185 -0.947 . . . . 0.0 112.76 -165.031 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -61.41 -43.68 98.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.04 -1.037 . . . . 0.0 109.173 -164.553 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.16 -42.52 6.67 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -173.173 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.4 66.04 0.08 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 156.898 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -11.9 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.015 0.926 . . . . 0.0 112.891 154.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.41 27.7 1.43 Allowed Glycine 0 CA--C 1.571 3.564 0 O-C-N 120.723 -1.236 . . . . 0.0 115.07 166.456 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -116.45 164.06 15.13 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -1.089 . . . . 0.0 111.643 166.673 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.907 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.3 mt -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.029 -1.044 . . . . 0.0 110.236 156.348 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.18 167.69 9.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.044 -1.035 . . . . 0.0 112.717 175.73 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -72.68 -9.67 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 123.885 0.874 . . . . 0.0 110.483 176.75 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -41.12 23.14 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.519 -1.363 . . . . 0.0 113.564 170.061 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.907 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -72.92 -43.59 62.21 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.79 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 tt -68.11 -44.01 77.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.224 -0.923 . . . . 0.0 111.877 -161.813 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.96 -54.72 17.39 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.2 -0.938 . . . . 0.0 115.168 166.608 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -51.75 -41.63 61.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.303 -1.116 . . . . 0.0 113.87 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -60.57 -63.67 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.253 -0.904 . . . . 0.0 110.217 173.484 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.2 -5.86 0.54 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.131 -0.981 . . . . 0.0 111.608 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -75.9 0.58 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.202 -0.936 . . . . 0.0 110.792 165.372 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.53 -152.83 0.18 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -160.096 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -71.45 147.83 47.46 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.236 -0.915 . . . . 0.0 109.792 -179.46 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 34' ' ' THR . . . -80.75 -148.49 5.73 Favored Glycine 0 CA--C 1.571 3.557 0 O-C-N 121.224 -0.923 . . . . 0.0 115.114 163.567 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.413 0 O-C-N 121.202 -1.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.97 86.89 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 23.0 p -96.72 165.09 12.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.236 -0.915 . . . . 0.0 109.751 -178.594 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 -60.87 -53.58 55.53 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -167.425 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.09 -27.49 65.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -171.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -72.65 -46.46 53.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.228 -0.92 . . . . 0.0 112.699 171.931 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mm -61.56 -32.3 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.203 -0.936 . . . . 0.0 110.219 174.274 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -38.2 86.62 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.793 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.26 -29.39 68.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.359 -0.838 . . . . 0.0 112.665 170.559 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.0 -51.88 49.54 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 172.059 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.464 ' HG2' HG12 ' A' ' 24' ' ' ILE . 12.8 tpt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.895 -1.128 . . . . 0.0 112.024 -175.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -83.15 -31.26 27.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.271 -0.893 . . . . 0.0 109.932 -177.598 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.27 -41.89 84.77 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.23 -0.919 . . . . 0.0 112.483 171.284 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.7 m -62.95 -32.19 73.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.255 -0.903 . . . . 0.0 112.893 167.641 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -69.01 151.25 46.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.248 -0.908 . . . . 0.0 112.647 -177.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.7 -84.22 0.66 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.958 -1.089 . . . . 0.0 110.26 175.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -78.71 18.56 0.58 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.486 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.5 m120 72.18 36.5 1.09 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.808 1.243 . . . . 0.0 113.162 169.639 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.11 74.58 1.75 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.159 0.984 . . . . 0.0 112.706 154.367 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -39.15 -22.43 0.02 OUTLIER Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.142 -0.974 . . . . 0.0 115.138 167.593 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -125.72 151.38 46.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.217 -1.166 . . . . 0.0 113.949 175.755 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.951 HG23 ' HB2' ' B' ' 62' ' ' GLU . 56.6 mt -112.41 148.0 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.223 -0.923 . . . . 0.0 110.518 -167.246 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -121.12 -169.11 1.78 Allowed 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 124.225 1.01 . . . . 0.0 112.794 171.608 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.86 -42.24 97.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.841 -1.162 . . . . 0.0 112.237 -173.409 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.74 -78.49 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.704 0 O-C-N 120.738 -1.226 . . . . 0.0 113.623 167.287 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.951 ' HB2' HG23 ' B' ' 58' ' ' ILE . 3.8 mm-40 -33.25 -40.84 0.07 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 171.479 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.742 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 2.3 t80 -57.19 -50.76 71.85 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.818 -1.177 . . . . 0.0 112.067 176.653 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.671 ' CD2' HD12 ' A' ' 7' ' ' LEU . 58.6 mt -65.1 -22.89 67.01 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.293 -0.879 . . . . 0.0 111.755 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -87.36 -40.09 14.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.109 -0.994 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -21.67 28.5 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 167.243 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.18 -82.47 0.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.196 -0.94 . . . . 0.0 110.553 162.23 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.98 -31.28 64.42 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -165.521 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -107.53 36.8 4.16 Favored Glycine 0 CA--C 1.571 3.555 0 O-C-N 121.269 -0.894 . . . . 0.0 115.16 -167.417 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 p -113.96 25.69 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.183 -1.187 . . . . 0.0 108.683 176.848 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -37.64 5.54 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.877 -1.14 . . . . 0.0 112.065 -158.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.438 0 O-C-N 121.187 -0.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.341 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -71.11 114.47 9.2 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 123.576 0.75 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -156.14 31.8 0.34 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.273 -0.892 . . . . 0.0 112.392 -171.716 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.5 mt-10 -98.06 -25.05 15.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.212 -0.93 . . . . 0.0 111.848 179.456 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.6 tt0 -50.39 -46.25 56.01 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.113 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.21 -30.75 15.04 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -168.86 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -72.18 -15.66 61.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.162 -0.961 . . . . 0.0 111.755 162.581 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -72.25 -59.66 2.62 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.192 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -40.28 -57.06 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.95 0.9 . . . . 0.0 113.238 161.225 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.1 76.45 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.324 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.785 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 16.2 t80 -76.31 -30.02 57.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.276 -0.89 . . . . 0.0 112.131 -172.519 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -83.32 -31.24 26.94 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.171 -0.956 . . . . 0.0 112.922 176.647 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.99 -36.59 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.257 1.023 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -61.57 -42.44 98.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.386 -0.821 . . . . 0.0 110.394 173.175 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -73.07 127.85 33.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.2 -0.938 . . . . 0.0 112.824 -173.172 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.4 -44.82 34.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.113 -0.992 . . . . 0.0 109.333 178.854 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.78 -23.06 15.11 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -162.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.44 44.05 7.48 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 163.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -78.94 -19.67 51.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.236 -0.915 . . . . 0.0 112.717 154.702 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.17 -22.54 3.98 Favored Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.534 0.974 . . . . 0.0 115.534 -177.016 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -114.7 162.12 17.24 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -1.195 . . . . 0.0 111.694 -156.464 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.62 ' CD1' ' HE1' ' A' ' 11' ' ' PHE . 64.1 mt -109.95 143.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 124.078 0.951 . . . . 0.0 110.263 168.713 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -102.46 157.89 16.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.107 -0.996 . . . . 0.0 112.664 175.036 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.466 HD13 ' CG ' ' B' ' 47' ' ' MET . 0.3 OUTLIER -52.01 -30.46 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.434 -0.792 . . . . 0.0 110.08 177.638 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.17 -30.88 43.71 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -174.52 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -73.46 -27.53 61.46 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.376 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD21 HD12 ' B' ' 43' ' ' ILE . 9.7 tt -42.85 -61.97 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.347 -0.846 . . . . 0.0 111.942 177.804 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.16 -30.65 77.25 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.04 -1.037 . . . . 0.0 115.082 -170.012 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.2 -30.69 49.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.267 -1.137 . . . . 0.0 113.895 171.403 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.03 -58.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.252 -0.905 . . . . 0.0 110.215 168.491 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -50.2 70.62 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.23 -0.919 . . . . 0.0 111.222 176.062 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -84.62 -41.75 16.06 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.236 -0.915 . . . . 0.0 110.851 -159.903 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.53 -89.34 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -156.297 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 34' ' ' THR . 5.0 t -128.49 81.81 2.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.158 -0.964 . . . . 0.0 109.784 -165.396 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.78 -141.42 3.13 Favored Glycine 0 CA--C 1.572 3.634 0 O-C-N 121.262 -0.899 . . . . 0.0 115.016 156.366 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 O-C-N 121.211 -1.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 37' ' ' ACE . . . . . 0.43 ' C ' HG12 ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.236 0.347 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.43 HG12 ' C ' ' B' ' 37' ' ' ACE . 1.7 p 56.69 79.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 45.5 p -132.86 -141.34 0.2 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.279 -0.888 . . . . 0.0 109.671 -171.237 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.05 -52.09 67.23 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.009 -1.057 . . . . 0.0 113.802 162.666 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -66.51 -36.19 82.11 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -167.388 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.16 -49.33 78.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.204 -0.935 . . . . 0.0 112.656 167.204 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 27' ' ' LEU . 4.0 mm -64.28 -34.25 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 179.391 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -39.94 91.92 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 174.78 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -63.3 -35.36 80.09 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.335 -0.853 . . . . 0.0 112.641 169.528 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.55 -53.76 14.8 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.162 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.517 ' HE1' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -96.78 14.99 23.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.852 -1.155 . . . . 0.0 112.107 -174.037 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -112.14 -30.09 7.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 163.315 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -67.45 -63.73 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.867 -1.146 . . . . 0.0 112.459 166.135 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 58.1 m -67.34 -29.47 69.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.121 -0.987 . . . . 0.0 112.882 -178.2 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -82.67 72.34 9.74 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.153 -0.967 . . . . 0.0 112.709 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -67.15 0.56 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -167.562 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -77.32 9.02 3.46 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -159.43 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 59.37 51.11 6.97 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.036 -1.04 . . . . 0.0 113.303 -169.464 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 67.55 2.1 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.055 0.942 . . . . 0.0 112.668 154.513 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.66 -17.98 1.55 Allowed Glycine 0 CA--C 1.571 3.557 0 O-C-N 121.197 -0.939 . . . . 0.0 115.206 -168.062 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -104.35 138.99 39.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.113 -1.228 . . . . 0.0 113.849 171.512 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.636 HG23 ' CB ' ' B' ' 62' ' ' GLU . 69.8 mt -109.26 141.76 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.078 -1.014 . . . . 0.0 110.207 -160.69 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -110.06 -174.38 2.48 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.012 -1.055 . . . . 0.0 112.85 -178.665 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.785 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 61.7 t80 -65.0 -42.65 94.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.983 -1.073 . . . . 0.0 112.068 -172.221 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.95 -79.19 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.678 -1.264 . . . . 0.0 113.605 163.906 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.636 ' CB ' HG23 ' B' ' 58' ' ' ILE . 37.5 mt-10 -35.59 -34.19 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 172.6 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 1.9 t80 -58.69 -49.3 78.06 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.516 -1.365 . . . . 0.0 111.817 174.268 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.13 -28.15 68.9 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 123.836 0.854 . . . . 0.0 111.866 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.68 -37.7 24.45 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.063 -1.023 . . . . 0.0 109.32 174.127 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -59.73 -66.69 0.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 174.728 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 tpt -48.65 -67.94 0.23 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 110.578 168.698 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -136.01 54.7 1.89 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -162.798 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.77 35.04 2.32 Favored Glycine 0 CA--C 1.571 3.587 0 O-C-N 121.142 -0.974 . . . . 0.0 115.105 155.512 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.42 118.02 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.215 -1.168 . . . . 0.0 108.465 -174.708 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -83.12 120.07 25.3 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.247 -0.908 . . . . 0.0 111.898 170.573 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.444 0 O-C-N 121.09 -1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.1 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.508 -0.745 . . . . 0.0 109.932 . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -159.26 32.79 0.2 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.289 -0.882 . . . . 0.0 112.418 -170.5 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER -122.66 -33.26 3.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.263 -0.898 . . . . 0.0 112.261 -163.803 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -52.12 4.0 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -169.383 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -83.5 -21.86 32.68 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -168.421 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.647 HD12 HD23 ' B' ' 64' ' ' LEU . 0.7 OUTLIER -85.58 -21.38 28.53 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.383 1.073 . . . . 0.0 111.788 172.548 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.835 ' HB2' ' CE2' ' B' ' 60' ' ' PHE . . . -78.63 -52.73 8.03 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 167.355 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -39.33 -49.21 1.96 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.223 -0.923 . . . . 0.0 113.181 161.368 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.93 82.49 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 171.918 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.919 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 29.5 t80 -75.3 -26.98 59.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.0 112.028 -174.15 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -6.32 39.29 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 123.928 0.891 . . . . 0.0 113.049 172.847 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -79.73 -31.77 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 C-N-CA 124.26 1.024 . . . . 0.0 110.203 167.222 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.796 ' HD2' HD13 ' A' ' 30' ' ' ILE . 2.8 m-30 -62.59 -70.68 0.19 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.999 0.92 . . . . 0.0 110.491 170.238 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -62.44 118.57 7.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.148 -0.97 . . . . 0.0 112.782 -165.253 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HG3' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.79 -32.84 60.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.013 -1.054 . . . . 0.0 109.185 -169.184 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -107.81 -32.79 7.47 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -167.907 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 68.14 47.19 1.05 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.18 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.85 6.52 4.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.214 -0.929 . . . . 0.0 112.852 154.422 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.449 ' O ' ' HE1' ' A' ' 11' ' ' PHE . . . 98.42 -8.7 62.45 Favored Glycine 0 CA--C 1.571 3.543 0 O-C-N 120.565 -1.335 . . . . 0.0 115.304 162.639 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.779 ' HD2' ' HD3' ' B' ' 57' ' ' ARG . 6.8 m-30 -122.68 170.08 10.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -1.214 . . . . 0.0 111.752 -173.681 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.919 HD13 ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -109.02 151.9 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 124.46 1.104 . . . . 0.0 110.254 163.397 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.28 166.03 18.55 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.013 -1.054 . . . . 0.0 112.715 -175.818 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 tt -68.13 -29.64 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.211 -0.931 . . . . 0.0 110.177 -175.532 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -76.8 -30.8 56.6 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.463 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.567 ' OE2' ' HG3' ' A' ' 16' ' ' LYS . 93.5 mt-10 -78.2 -29.22 48.29 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.874 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -53.46 -55.45 25.17 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.305 1.042 . . . . 0.0 111.974 -169.022 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.62 -48.06 17.51 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.141 -0.974 . . . . 0.0 115.135 174.042 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.48 -19.42 55.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.232 -1.158 . . . . 0.0 113.879 179.151 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.796 HD13 ' HD2' ' A' ' 14' ' ' PHE . 16.4 mt -60.96 -49.04 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 166.657 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.96 -41.52 71.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.169 -0.957 . . . . 0.0 111.339 168.606 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 8.1 ptm180 -127.55 41.23 3.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.407 -0.808 . . . . 0.0 110.798 -170.738 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . -45.79 135.21 7.12 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 169.934 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -93.86 -179.09 4.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.17 -0.956 . . . . 0.0 109.682 -171.566 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.54 34.07 0.07 OUTLIER Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.26 -0.9 . . . . 0.0 115.086 167.762 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.409 0 O-C-N 121.181 -1.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.331 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.95 87.06 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.6 179.09 4.8 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.221 -0.924 . . . . 0.0 109.745 -168.268 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.88 -41.48 91.5 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 171.014 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.62 -28.81 68.05 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -168.506 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.55 -46.93 87.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.215 -0.928 . . . . 0.0 112.68 164.994 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -58.97 -53.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.265 -0.897 . . . . 0.0 110.166 -176.009 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.37 70.37 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.341 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -57.58 -35.48 70.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 162.937 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -76.52 -50.69 13.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 47' ' ' MET . . . . . 0.405 ' CE ' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -59.56 -28.48 67.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.88 -1.138 . . . . 0.0 112.075 173.651 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -92.15 -9.96 40.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.352 -0.842 . . . . 0.0 110.606 178.273 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.05 -51.58 52.9 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.199 -1.563 . . . . 0.0 112.409 157.931 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.9 m -100.56 -27.04 13.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.114 -0.992 . . . . 0.0 112.898 -157.246 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -58.27 120.61 9.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.259 -0.9 . . . . 0.0 112.706 166.152 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.04 -1.038 . . . . 0.0 109.939 165.086 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -64.46 -7.38 9.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.148 -0.97 . . . . 0.0 113.248 -163.31 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.79 41.79 24.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.241 -0.912 . . . . 0.0 113.276 164.123 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -89.5 -22.53 22.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.284 -0.885 . . . . 0.0 112.723 159.59 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.75 39.41 4.96 Favored Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.064 -1.022 . . . . 0.0 115.111 169.97 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.779 ' HD3' ' HD2' ' A' ' 21' ' ' TYR . 13.4 ttm-85 -130.55 129.77 43.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.269 -1.136 . . . . 0.0 113.77 164.012 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' B' ' 62' ' ' GLU . 67.0 mt -100.25 122.6 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.215 1.006 . . . . 0.0 110.157 -173.695 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.32 174.44 5.91 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.932 -1.105 . . . . 0.0 112.749 171.775 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.835 ' CE2' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -52.32 -33.33 42.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.923 -1.11 . . . . 0.0 112.132 -166.513 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.02 -83.96 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.812 2.244 . . . . 0.0 111.433 171.464 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.879 ' HB2' HG23 ' B' ' 58' ' ' ILE . 14.3 mm-40 -23.81 -40.17 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.7 165.733 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.707 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 14.2 t80 -61.03 -50.57 72.78 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.495 -0.753 . . . . 0.0 111.782 177.884 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.647 HD23 HD12 ' A' ' 7' ' ' LEU . 17.0 mt -57.63 -29.86 64.9 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 124.403 1.081 . . . . 0.0 111.904 175.853 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -47.54 13.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.079 -1.013 . . . . 0.0 109.392 -178.31 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.526 ' O ' ' HG2' ' B' ' 66' ' ' MET . 3.1 tmm? -75.53 -4.7 41.36 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -179.79 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.19 -41.0 5.46 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.217 -0.927 . . . . 0.0 110.557 168.525 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -147.12 21.59 1.22 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -162.163 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.47 -126.06 2.53 Favored Glycine 0 CA--C 1.572 3.636 0 O-C-N 121.274 -0.891 . . . . 0.0 115.145 170.338 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.88 166.31 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.222 -1.163 . . . . 0.0 108.468 -163.025 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -92.67 142.44 27.37 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.257 -0.902 . . . . 0.0 111.968 164.426 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.383 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.35 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -158.08 40.99 0.27 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.454 -0.779 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -113.89 -27.97 7.56 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.288 -0.883 . . . . 0.0 112.356 168.855 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.0 OUTLIER -55.67 -7.52 0.29 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.231 -0.918 . . . . 0.0 111.847 175.187 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -36.06 -63.66 0.36 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 170.904 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -72.26 -32.85 67.02 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.777 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' B' ' 64' ' ' LEU . 5.7 mp -73.23 -19.92 60.97 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.137 0.975 . . . . 0.0 111.773 171.129 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.53 ' CA ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.6 -44.12 17.69 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 174.164 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -61.99 -39.71 93.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.12 -0.988 . . . . 0.0 113.225 164.385 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.71 74.78 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.456 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.571 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 45.5 t80 -74.45 -28.29 60.97 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.045 -1.034 . . . . 0.0 112.041 -170.477 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.2 ptt180 -73.23 -40.77 64.41 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 124.018 0.927 . . . . 0.0 112.981 165.782 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 mm -64.25 -37.27 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -173.297 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -57.35 -62.47 1.75 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 110.367 172.132 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -75.33 138.02 41.51 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.174 -0.954 . . . . 0.0 112.851 -160.392 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -80.58 0.08 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.152 -0.968 . . . . 0.0 109.367 -174.436 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -75.12 -35.15 61.73 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -162.538 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.82 57.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 154.355 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -87.51 20.07 3.06 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.929 0.891 . . . . 0.0 112.736 154.549 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.87 -5.56 58.16 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.095 -1.003 . . . . 0.0 115.37 163.194 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -117.49 153.42 33.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.12 -1.224 . . . . 0.0 111.694 -169.138 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 mt -114.09 113.03 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.151 -0.968 . . . . 0.0 110.259 174.543 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -103.28 170.61 7.85 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.958 -1.089 . . . . 0.0 112.726 -160.96 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -27.57 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.241 -0.912 . . . . 0.0 110.193 -178.58 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.92 -38.13 46.21 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.96 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.75 ' O ' HD13 ' A' ' 30' ' ' ILE . 15.1 mt-10 -80.78 -27.36 36.71 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -177.225 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.947 HD23 HG23 ' B' ' 43' ' ' ILE . 12.0 tp -48.63 -60.67 2.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.287 -0.883 . . . . 0.0 111.929 177.771 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -24.55 60.08 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 121.141 -0.974 . . . . 0.0 115.096 174.843 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -66.24 -46.27 77.73 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.262 -1.14 . . . . 0.0 113.872 164.109 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.85 -54.38 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 177.747 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' A' ' 32' ' ' ARG . 3.2 pp -70.05 -33.16 71.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.142 -0.974 . . . . 0.0 111.757 175.796 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.755 ' HB2' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -123.68 47.98 1.94 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.149 -0.97 . . . . 0.0 110.781 -176.668 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . -83.78 -61.88 1.71 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 161.637 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.99 -74.48 0.57 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.212 -0.93 . . . . 0.0 109.791 -166.767 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.17 42.57 1.75 Allowed Glycine 0 CA--C 1.571 3.58 0 O-C-N 121.257 -0.902 . . . . 0.0 115.137 -168.779 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.231 -1.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.349 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' B' ' 42' ' ' ASP . 1.2 t 173.55 139.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 . . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.5 t -62.94 165.44 6.83 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.254 -0.904 . . . . 0.0 109.779 -165.136 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -65.45 -19.13 65.81 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 161.794 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' B' ' 44' ' ' GLU . 11.5 mt-10 -66.07 -19.56 65.89 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.948 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.473 ' HB2' HG13 ' B' ' 38' ' ' VAL . 39.6 m-20 -88.57 -36.35 16.39 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.249 -0.907 . . . . 0.0 112.666 171.989 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.947 HG23 HD23 ' A' ' 27' ' ' LEU . 1.8 mp -59.52 -34.99 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.125 -0.984 . . . . 0.0 110.166 161.788 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 41' ' ' GLU . 0.3 OUTLIER -69.91 -33.44 72.18 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.54 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -62.89 -53.82 48.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.164 -0.96 . . . . 0.0 112.639 170.486 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tp -52.05 -53.29 43.88 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.111 -0.993 . . . . 0.0 113.677 174.336 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -1.69 54.6 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.706 -1.246 . . . . 0.0 112.144 -161.241 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -102.93 -18.41 15.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.176 -0.953 . . . . 0.0 110.475 164.531 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.99 -79.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.461 -1.4 . . . . 0.0 112.42 158.142 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -61.51 -20.46 63.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.146 -0.971 . . . . 0.0 112.849 -170.837 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -69.63 131.21 44.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.247 -0.908 . . . . 0.0 112.64 162.162 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -74.18 0.66 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.936 176.752 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -76.31 1.56 15.8 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.985 -1.072 . . . . 0.0 113.57 -171.212 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 m120 61.07 41.0 14.38 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.983 -1.073 . . . . 0.0 113.266 -179.224 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -86.67 63.9 8.22 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.259 -0.9 . . . . 0.0 112.691 154.551 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.42 -32.86 2.88 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.295 -0.878 . . . . 0.0 115.237 -162.216 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.14 123.17 28.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.205 -1.174 . . . . 0.0 113.881 -177.348 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 58' ' ' ILE . . . . . 0.892 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.9 mt -99.91 134.15 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.1 -1.0 . . . . 0.0 110.148 -159.686 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -104.87 -169.61 1.64 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.114 -0.992 . . . . 0.0 112.79 167.844 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.53 ' HE2' ' CA ' ' A' ' 8' ' ' ALA . 6.2 t80 -71.24 -37.67 71.99 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.877 -1.139 . . . . 0.0 112.233 -166.326 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.725 -1.235 . . . . 0.0 113.741 164.808 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.892 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.7 mm-40 -35.05 -39.04 0.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 167.714 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 63' ' ' PHE . . . . . 0.571 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 27.4 t80 -59.07 -41.59 88.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.697 -1.252 . . . . 0.0 111.996 177.463 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.726 ' CD2' HD22 ' A' ' 7' ' ' LEU . 44.9 mt -70.2 -31.91 69.58 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.928 0.891 . . . . 0.0 111.755 178.885 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -87.7 -12.32 45.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.134 -0.979 . . . . 0.0 109.362 177.294 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 66' ' ' MET . . . . . 0.782 ' HE2' HD13 ' B' ' 58' ' ' ILE . 2.1 ttp -86.89 -62.45 1.5 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 172.479 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.6 ttm -39.2 -33.36 0.13 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.232 -0.917 . . . . 0.0 110.538 161.432 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -86.33 -102.22 0.07 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 170.077 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.43 134.37 8.25 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.144 -0.972 . . . . 0.0 115.069 -178.179 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.592 HG13 ' N ' ' B' ' 71' ' ' GLN . 0.4 OUTLIER -92.82 -170.86 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.221 -1.164 . . . . 0.0 108.552 -166.291 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.592 ' N ' HG13 ' B' ' 70' ' ' VAL . 13.8 pt20 -154.51 19.91 0.47 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.197 -0.939 . . . . 0.0 112.018 171.287 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.385 0 O-C-N 121.288 -0.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.256 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.062 0.458 . . . . 0.0 111.971 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.8 tt0 -73.98 -45.29 51.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.971 -1.081 . . . . 0.0 113.848 -154.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.48 -30.91 17.94 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -176.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.79 -25.58 67.31 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.028 0.931 . . . . 0.0 111.762 159.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -64.19 -71.36 0.18 Allowed 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 166.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -44.75 -37.23 3.63 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.266 -0.896 . . . . 0.0 113.281 171.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.77 83.27 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.753 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 88.4 t80 -72.09 -29.48 64.15 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.804 0.842 . . . . 0.0 112.084 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -79.93 -35.82 37.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.172 -0.955 . . . . 0.0 112.974 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -61.84 -35.88 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 110.298 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.52 -42.55 74.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.24 -0.913 . . . . 0.0 110.427 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -71.65 135.0 46.72 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.262 -0.899 . . . . 0.0 112.805 -164.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -68.96 -76.47 0.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.936 . . . . 0.0 109.302 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 4.4 m-80 -104.86 -20.87 13.44 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -170.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 81.59 54.26 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 157.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -73.64 -20.96 60.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.274 -0.891 . . . . 0.0 112.731 155.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.47 -5.52 5.91 Favored Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.143 -0.973 . . . . 0.0 115.401 165.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -114.24 164.85 13.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.177 -1.19 . . . . 0.0 111.704 -168.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.83 139.14 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 C-N-CA 123.902 0.881 . . . . 0.0 110.19 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -117.81 162.08 18.67 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.119 0.968 . . . . 0.0 112.684 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -25.76 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -75.35 -36.27 61.03 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.979 -1.076 . . . . 0.0 113.783 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.529 ' O ' HD12 ' A' ' 30' ' ' ILE . 88.2 mt-10 -67.85 -33.24 74.37 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 171.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -69.97 -45.29 67.68 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.164 -0.96 . . . . 0.0 111.833 -158.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.15 21.09 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.144 -0.972 . . . . 0.0 115.128 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.42 -30.18 70.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.304 -1.115 . . . . 0.0 113.884 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 26' ' ' GLU . 4.3 mp -58.53 -54.66 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.226 -0.921 . . . . 0.0 110.237 162.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.672 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -73.72 6.96 2.76 Favored 'General case' 0 CA--C 1.574 1.882 0 O-C-N 121.146 -0.972 . . . . 0.0 111.719 -177.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -71.81 0.47 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.98 -1.075 . . . . 0.0 111.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.876 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -154.56 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -68.45 -39.81 81.33 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.9 -51.4 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.243 -0.911 . . . . 0.0 112.675 166.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.07 -41.51 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.101 -0.999 . . . . 0.0 110.163 170.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -35.69 81.63 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.3 -27.44 60.71 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.039 0.936 . . . . 0.0 112.672 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -43.18 32.45 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.6 ' HE1' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -62.87 -28.08 69.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.105 -0.997 . . . . 0.0 112.102 167.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -88.4 -29.97 19.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.275 -0.891 . . . . 0.0 110.011 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -67.14 -55.86 12.41 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.133 -0.979 . . . . 0.0 112.455 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -26.82 60.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -0.964 . . . . 0.0 112.894 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.11 163.11 26.91 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.201 -0.937 . . . . 0.0 112.675 164.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.17 -60.5 0.53 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.143 -0.973 . . . . 0.0 109.86 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -71.46 -4.6 27.42 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.7 43.75 7.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.967 -1.083 . . . . 0.0 113.27 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.73 67.75 2.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.225 -0.922 . . . . 0.0 112.581 154.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.59 -6.0 0.1 OUTLIER Glycine 0 CA--C 1.572 3.618 0 N-CA-C 115.633 1.013 . . . . 0.0 115.633 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 141.31 48.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 114.008 155.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.92 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.1 mt -109.66 135.97 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 C-N-CA 123.979 0.911 . . . . 0.0 110.326 -167.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -105.18 176.24 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.903 -1.123 . . . . 0.0 112.882 165.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.566 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -63.57 -24.61 67.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.689 -1.257 . . . . 0.0 112.138 -168.383 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -83.13 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.149 0 CA-C-O 124.998 2.332 . . . . 0.0 111.3 163.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.92 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.3 mm-40 -25.23 -39.8 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 113.649 -1.614 . . . . 0.0 113.735 165.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.753 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 60.0 t80 -61.03 -49.39 77.59 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.3 -0.875 . . . . 0.0 111.808 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.97 -32.58 66.2 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.407 1.083 . . . . 0.0 111.947 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -97.72 -37.98 9.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 109.692 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.8 ttp -56.78 -28.69 61.7 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 167.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -75.93 -70.33 0.44 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.119 0.968 . . . . 0.0 110.597 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -175.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.254 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -45.14 75.03 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.396 -1.44 . . . . 0.0 113.845 -162.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.23 -47.65 27.13 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -27.92 68.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -0.883 . . . . 0.0 111.765 169.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -63.04 -63.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 171.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -39.25 -64.67 0.44 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.195 -0.941 . . . . 0.0 113.296 161.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.65 38.64 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.74 ' HE1' HG13 ' A' ' 22' ' ' ILE . 13.5 t80 -75.2 -39.49 60.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.236 -0.915 . . . . 0.0 112.105 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -76.46 -31.22 57.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.212 -0.93 . . . . 0.0 112.944 173.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mm -65.41 -41.38 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 123.998 0.919 . . . . 0.0 110.319 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -61.09 -61.52 2.51 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.37 90.23 0.15 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.252 -0.905 . . . . 0.0 112.779 174.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -26.97 68.4 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.142 -0.974 . . . . 0.0 109.202 -161.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.24 -46.5 10.29 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 79.04 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 157.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -23.86 30.11 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.239 -0.913 . . . . 0.0 112.769 159.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.81 -23.26 1.3 Allowed Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.0 -1.062 . . . . 0.0 115.413 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -117.15 155.36 29.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.985 -1.303 . . . . 0.0 111.672 -154.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.74 HG13 ' HE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -104.77 153.47 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.049 -1.032 . . . . 0.0 110.236 158.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -115.09 167.78 10.52 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.198 -0.939 . . . . 0.0 112.651 172.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -26.45 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.205 -0.935 . . . . 0.0 110.279 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -72.29 -33.22 67.26 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.989 -1.07 . . . . 0.0 113.74 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.37 -28.75 41.94 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.31 -44.29 83.82 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.162 -0.961 . . . . 0.0 111.873 -165.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.66 -39.21 30.06 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.098 -1.001 . . . . 0.0 115.08 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -64.24 -40.54 96.23 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.237 -1.155 . . . . 0.0 113.905 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mm -53.93 -66.74 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.22 -0.925 . . . . 0.0 110.235 165.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.18 -17.61 64.38 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.109 -0.995 . . . . 0.0 111.717 -164.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -26.13 12.53 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.189 -0.944 . . . . 0.0 110.816 -175.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.765 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -61.59 -32.06 72.15 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -75.61 -47.36 26.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.28 -0.888 . . . . 0.0 112.704 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -42.91 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.975 -1.078 . . . . 0.0 110.114 169.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.3 75.69 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.72 -51.52 69.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.277 -0.89 . . . . 0.0 112.684 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.49 ' C ' HD23 ' B' ' 46' ' ' LEU . 5.2 tt -50.47 -53.72 27.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.076 -1.015 . . . . 0.0 113.662 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 2.0 tpp -65.64 -53.77 36.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.795 -1.19 . . . . 0.0 112.057 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -33.83 71.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.228 -0.92 . . . . 0.0 110.037 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -67.37 -33.31 74.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.516 -0.74 . . . . 0.0 112.449 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.61 20.62 17.62 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.259 -0.901 . . . . 0.0 112.895 168.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -82.73 115.48 21.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.139 -0.976 . . . . 0.0 112.669 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -59.83 -141.77 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.113 -0.992 . . . . 0.0 109.93 156.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -71.29 -56.43 6.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.236 -0.915 . . . . 0.0 113.219 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 68.31 122.38 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 167.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.58 43.82 1.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.127 -0.983 . . . . 0.0 112.578 154.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.03 53.56 Favored Glycine 0 CA--C 1.572 3.615 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 157.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -144.98 153.31 41.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.129 -1.218 . . . . 0.0 114.083 -156.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.9 HG23 ' HB2' ' B' ' 62' ' ' GLU . 46.0 mt -109.82 137.44 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 C-N-CA 123.903 0.881 . . . . 0.0 110.3 -165.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -112.24 178.28 4.36 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.952 -1.092 . . . . 0.0 112.833 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.415 ' CD1' ' CD2' ' A' ' 11' ' ' PHE . 2.0 t80 -57.33 -34.4 68.71 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.115 -0.991 . . . . 0.0 112.017 -166.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -84.31 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.963 2.315 . . . . 0.0 111.436 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.9 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.5 mt-10 -25.03 -36.17 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.65 1.58 . . . . 0.0 113.875 167.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.644 ' HD2' ' CD1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -61.32 -57.96 10.2 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.236 -0.915 . . . . 0.0 111.889 173.14 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.67 -20.38 21.21 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.065 0.946 . . . . 0.0 111.796 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -55.78 4.14 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.18 -0.95 . . . . 0.0 109.497 171.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttm -45.23 -39.52 6.45 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 mmt -75.49 -98.39 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 110.589 162.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -163.289 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 2.2 pt-20 . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.665 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.7 tt0 -37.13 -54.33 1.0 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -176.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.93 -35.35 13.37 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -162.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.52 HD22 HD21 ' B' ' 64' ' ' LEU . 5.2 mp -66.78 -13.32 61.34 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.042 0.937 . . . . 0.0 111.789 157.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -79.56 -54.88 5.46 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 166.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -48.24 -46.97 36.17 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.318 -0.864 . . . . 0.0 113.247 164.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -64.35 -46.26 84.22 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 1.4 t80 -67.58 -35.53 79.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.0 112.169 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 -65.75 -36.71 84.33 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.16 -0.962 . . . . 0.0 112.919 167.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.37 -32.1 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.451 1.1 . . . . 0.0 110.23 -169.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.76 ' CE2' HG23 ' A' ' 30' ' ' ILE . 54.1 m-85 -60.67 -78.27 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 162.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.06 149.36 27.92 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.1 0.96 . . . . 0.0 112.816 -162.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 7.2 mmtp -64.92 -40.68 95.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.1 -1.0 . . . . 0.0 109.226 -165.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.0 t-20 -119.92 -37.16 3.14 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -162.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.61 45.51 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.58 -11.46 59.87 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.938 0.895 . . . . 0.0 112.947 159.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.535 ' O ' ' HD1' ' A' ' 21' ' ' TYR . . . 100.36 25.02 9.04 Favored Glycine 0 CA--C 1.571 3.581 0 O-C-N 120.872 -1.142 . . . . 0.0 115.297 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.535 ' HD1' ' O ' ' A' ' 20' ' ' GLY . 11.5 m-30 -119.82 167.05 12.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.213 -1.169 . . . . 0.0 111.674 163.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 mt -126.13 146.72 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 110.219 161.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -119.45 169.05 10.38 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.096 -1.002 . . . . 0.0 112.697 -174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -38.12 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.226 -0.921 . . . . 0.0 110.23 -177.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.02 -36.51 72.43 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.761 ' O ' HD13 ' A' ' 30' ' ' ILE . 80.0 mt-10 -80.87 -20.71 41.67 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.9 -55.94 21.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.904 . . . . 0.0 111.831 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -20.35 -64.4 0.01 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.179 -0.95 . . . . 0.0 115.224 156.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.53 -33.06 74.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.305 -1.114 . . . . 0.0 113.9 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.761 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.23 -49.55 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.143 -0.973 . . . . 0.0 110.202 168.157 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.78 -34.97 5.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.314 -0.866 . . . . 0.0 111.358 168.002 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -52.33 8.78 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.34 -0.85 . . . . 0.0 110.794 -171.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.919 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.269 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.44 -33.96 76.87 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.88 -30.36 40.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.229 -0.919 . . . . 0.0 112.658 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 mp -58.95 -43.92 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.216 -0.927 . . . . 0.0 110.149 165.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -46.52 72.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.472 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -62.51 -37.83 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.475 -0.766 . . . . 0.0 112.655 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.3 -45.43 84.39 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.97 6.3 42.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -0.982 . . . . 0.0 112.254 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.495 ' HE3' ' HB2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -94.47 -36.28 11.94 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.075 0.95 . . . . 0.0 110.029 155.326 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.5 -71.15 0.22 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 0.0 112.472 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.1 m -74.58 16.6 0.26 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.232 -0.917 . . . . 0.0 113.0 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.33 130.55 39.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.183 -0.948 . . . . 0.0 112.715 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.99 -128.78 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.121 -0.987 . . . . 0.0 109.809 154.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -70.36 -44.56 67.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.919 -1.113 . . . . 0.0 113.329 167.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m120 46.12 95.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.085 -1.01 . . . . 0.0 113.34 -155.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.59 -31.85 71.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.155 -0.965 . . . . 0.0 112.678 162.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.48 -56.37 0.02 OUTLIER Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.215 -0.928 . . . . 0.0 115.18 161.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -125.97 -175.62 3.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.298 -1.119 . . . . 0.0 113.916 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.983 HG23 ' HB2' ' B' ' 62' ' ' GLU . 21.8 mt -108.34 144.6 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 C-N-CA 123.85 0.86 . . . . 0.0 110.262 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -117.07 -168.88 1.55 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.239 1.016 . . . . 0.0 112.773 163.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.55 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -65.49 -30.59 71.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.089 -1.007 . . . . 0.0 112.098 -173.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.45 -83.35 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.939 2.304 . . . . 0.0 111.417 165.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.983 ' HB2' HG23 ' B' ' 58' ' ' ILE . 6.3 mm-40 -24.62 -39.76 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.65 -1.614 . . . . 0.0 113.635 165.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 59.8 t80 -62.34 -49.65 74.76 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.412 -0.805 . . . . 0.0 112.069 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.52 HD21 HD22 ' A' ' 7' ' ' LEU . 30.9 mt -58.12 -41.74 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.288 1.035 . . . . 0.0 111.782 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.6 -29.55 51.97 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.016 -1.053 . . . . 0.0 109.362 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -83.35 -48.45 10.38 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -19.46 64.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.164 -0.96 . . . . 0.0 110.465 172.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 162.684 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 4.6 pt-20 . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -48.41 60.88 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -167.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.96 -34.58 57.58 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -31.21 69.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.244 -0.91 . . . . 0.0 111.714 167.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.662 ' CB ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.46 -43.5 18.78 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -45.4 -52.71 9.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.213 -0.93 . . . . 0.0 113.196 160.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.15 80.23 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 86.6 t80 -76.0 -28.18 57.69 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.878 0.871 . . . . 0.0 111.969 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -79.35 -43.68 23.04 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.295 1.038 . . . . 0.0 112.996 165.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.89 -30.26 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.455 1.102 . . . . 0.0 110.234 -164.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 30' ' ' ILE . 7.7 m-30 -56.03 -59.19 5.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.244 -0.91 . . . . 0.0 110.422 158.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -80.41 140.7 35.88 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.185 -0.947 . . . . 0.0 112.824 -160.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.95 7.37 11.45 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.079 -1.013 . . . . 0.0 109.996 -163.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 7.2 m-20 179.81 83.98 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.192 -1.567 . . . . 0.0 114.536 -153.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 67.08 76.19 0.29 Allowed 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -153.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -55.08 -15.18 1.95 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 123.843 0.857 . . . . 0.0 112.894 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -54.86 -61.76 6.99 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 120.855 -1.153 . . . . 0.0 115.142 169.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 2.0 m-30 -116.17 153.55 31.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.291 -1.123 . . . . 0.0 111.716 -172.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 mt -108.52 144.69 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.152 -0.968 . . . . 0.0 110.236 167.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -115.15 163.11 16.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.196 -0.94 . . . . 0.0 112.721 -174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' B' ' 47' ' ' MET . 1.1 tt -62.95 -31.11 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 110.181 -175.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.65 -30.57 41.3 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.38 -30.53 37.87 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.983 HD23 HD11 ' A' ' 31' ' ' LEU . 9.8 tt -46.5 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.218 -0.926 . . . . 0.0 111.942 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.672 ' HA2' HD12 ' A' ' 31' ' ' LEU . . . -43.1 -41.07 4.61 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.155 -0.966 . . . . 0.0 115.106 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 16.1 mt-10 -72.98 -31.18 64.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.226 -1.161 . . . . 0.0 113.883 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.528 HG21 ' CE2' ' A' ' 14' ' ' PHE . 12.8 mm -54.49 -68.39 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.211 -0.931 . . . . 0.0 110.23 159.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.983 HD11 HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -62.08 -25.11 67.51 Favored 'General case' 0 CA--C 1.574 1.881 0 O-C-N 121.113 -0.992 . . . . 0.0 111.379 -162.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.14 -40.88 3.05 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.295 -0.878 . . . . 0.0 110.803 -170.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -156.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -39.18 85.12 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 172.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.23 -47.14 82.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 170.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mm -56.29 -50.63 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.094 -1.004 . . . . 0.0 110.21 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -38.17 87.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.141 -0.974 . . . . 0.0 113.617 -173.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -76.83 -25.68 53.47 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.145 0.978 . . . . 0.0 112.714 174.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.97 -45.68 73.51 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.683 ' HG2' HD12 ' A' ' 24' ' ' ILE . 1.6 ttt -91.28 15.52 11.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.077 -1.015 . . . . 0.0 112.117 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.91 -37.11 5.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 160.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.43 -45.14 76.94 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.589 -0.694 . . . . 0.0 112.432 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.1 p -77.19 -25.62 52.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 112.867 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.99 141.31 33.38 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.17 -0.956 . . . . 0.0 112.724 -154.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -166.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.224 -0.922 . . . . 0.0 109.89 157.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -72.51 -54.02 10.4 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.178 -0.951 . . . . 0.0 113.138 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 m120 71.88 127.5 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 158.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -65.7 -22.3 66.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.151 -0.968 . . . . 0.0 112.685 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -9.97 0.07 OUTLIER Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.182 -0.949 . . . . 0.0 115.429 156.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -136.41 163.67 29.93 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.119 -1.224 . . . . 0.0 113.815 -160.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.933 HG23 ' HB2' ' B' ' 62' ' ' GLU . 61.1 mt -102.95 155.9 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 124.065 0.946 . . . . 0.0 110.197 -173.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -133.75 177.2 7.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.053 -1.029 . . . . 0.0 112.843 166.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.662 ' HE2' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -54.36 -30.03 50.38 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.03 -1.044 . . . . 0.0 111.977 -163.028 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.89 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 124.931 2.3 . . . . 0.0 111.484 168.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.933 ' HB2' HG23 ' B' ' 58' ' ' ILE . 37.9 mt-10 -28.57 -33.17 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.998 166.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.513 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 2.2 t80 -63.24 -52.21 63.07 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.744 -1.223 . . . . 0.0 111.834 173.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.28 -26.87 63.49 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.478 1.111 . . . . 0.0 111.831 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.656 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -96.78 -19.03 19.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.214 -0.929 . . . . 0.0 109.549 -179.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 24.3 ttp -78.91 -49.28 13.09 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.3 tpt -57.07 -62.6 1.64 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.268 -0.895 . . . . 0.0 110.52 162.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.498 1.954 0 C-N-CA 124.554 1.141 . . . . 0.0 114.068 -157.887 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.899 0 CA-C-O 121.202 0.525 . . . . 0.0 111.918 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -38.62 72.95 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -166.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -18.06 15.54 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.771 HD22 ' HE1' ' B' ' 67' ' ' MET . 6.3 mt -69.33 -23.43 63.78 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.258 -0.901 . . . . 0.0 111.747 157.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.59 -52.8 10.79 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -50.37 -43.11 54.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.297 -0.877 . . . . 0.0 113.288 162.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -68.33 -31.52 71.0 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.73 ' HA ' ' HE2' ' B' ' 63' ' ' PHE . 0.6 OUTLIER -75.83 -40.46 54.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.311 -0.868 . . . . 0.0 112.088 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -51.6 -43.7 62.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.211 -0.931 . . . . 0.0 112.898 161.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.83 -34.01 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 C-N-CA 124.32 1.048 . . . . 0.0 110.216 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' A' ' 30' ' ' ILE . 3.3 m-85 -55.92 -43.75 77.63 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.205 -0.934 . . . . 0.0 110.351 163.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.38 167.46 18.11 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.166 -0.959 . . . . 0.0 112.766 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.18 -53.76 0.85 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.113 -0.992 . . . . 0.0 109.192 170.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -94.52 -21.32 18.95 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -167.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 77.0 54.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 165.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -75.81 -19.83 58.65 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.032 0.933 . . . . 0.0 112.712 160.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.46 -15.98 49.14 Favored Glycine 0 CA--C 1.571 3.583 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -165.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -115.06 158.32 22.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.03 -1.277 . . . . 0.0 111.736 -163.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.481 HG13 ' CE1' ' A' ' 11' ' ' PHE . 2.8 mt -108.51 123.67 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 C-N-CA 124.168 0.987 . . . . 0.0 110.299 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -106.25 175.85 5.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -63.6 -29.78 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.277 -0.889 . . . . 0.0 110.222 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.72 -34.99 58.09 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -72.51 -36.62 68.4 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.885 HD23 HD23 ' A' ' 31' ' ' LEU . 5.9 tt -79.2 -45.02 20.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.863 -155.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.05 -36.98 92.02 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.15 -0.969 . . . . 0.0 115.105 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -34.49 54.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.256 -1.144 . . . . 0.0 113.88 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' A' ' 14' ' ' PHE . 4.4 mm -48.46 -70.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.151 -0.968 . . . . 0.0 110.184 156.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.938 HD21 HG12 ' B' ' 43' ' ' ILE . 3.6 pp -68.21 -8.98 43.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.192 -0.943 . . . . 0.0 111.696 -163.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -85.87 -49.92 7.51 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.174 -0.954 . . . . 0.0 110.871 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.851 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -161.194 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.584 ' HA ' HD12 ' B' ' 43' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -26.94 66.77 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.67 -37.38 70.78 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.305 -0.872 . . . . 0.0 112.692 168.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.938 HG12 HD21 ' A' ' 31' ' ' LEU . 5.7 mt -57.25 -56.05 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.123 -0.985 . . . . 0.0 110.153 172.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.27 86.35 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.25 -42.52 88.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 112.663 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.6 tp -71.72 -44.26 64.45 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 1.5 ttm -73.01 -13.81 61.3 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.194 -0.941 . . . . 0.0 112.02 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -34.49 23.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.221 -0.925 . . . . 0.0 109.92 163.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.32 -34.6 77.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.487 -0.758 . . . . 0.0 112.464 -176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -82.19 -49.57 9.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.331 -0.855 . . . . 0.0 112.84 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.23 147.88 44.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.193 -0.942 . . . . 0.0 112.685 -164.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -112.39 0.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.214 -0.928 . . . . 0.0 109.912 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -71.33 5.48 2.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.536 -1.352 . . . . 0.0 113.418 -161.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 70.62 76.22 0.19 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.919 -1.113 . . . . 0.0 113.246 161.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -95.6 -29.26 14.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.159 -0.963 . . . . 0.0 112.703 157.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.42 35.57 5.17 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.256 -0.903 . . . . 0.0 115.159 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -159.05 131.95 7.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.085 -1.244 . . . . 0.0 114.044 -170.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.834 HG23 ' HB2' ' B' ' 62' ' ' GLU . 79.8 mt -111.86 146.84 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.209 -0.932 . . . . 0.0 110.411 -165.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -107.14 -168.01 1.34 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 112.787 170.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.616 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -68.01 -34.19 76.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.112 -0.993 . . . . 0.0 112.012 177.145 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.83 -83.18 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.123 0 CA-C-O 124.753 2.216 . . . . 0.0 111.69 170.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.834 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.4 mm-40 -24.23 -42.35 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.761 0 CA-C-N 113.84 -1.527 . . . . 0.0 113.615 164.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.73 ' HE2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -62.31 -46.5 88.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.428 -0.795 . . . . 0.0 111.939 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.51 -40.87 96.18 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 125.018 1.327 . . . . 0.0 111.763 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -45.93 32.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.124 -0.985 . . . . 0.0 109.334 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 4.7 ttm -46.37 -58.34 3.81 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.771 ' HE1' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -91.96 -11.61 35.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.122 -0.986 . . . . 0.0 110.485 -163.003 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 154.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 2.0 tt0 . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 121.13 0.49 . . . . 0.0 111.847 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.75 -32.18 65.46 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -30.92 16.17 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.81 HD12 HD23 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -77.17 -19.17 57.16 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.142 0.977 . . . . 0.0 111.736 162.333 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -65.04 -64.07 0.95 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 166.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -47.41 -38.31 13.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.317 -0.864 . . . . 0.0 113.31 166.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.31 -39.81 78.05 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 176.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.778 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 64.3 t80 -74.63 -30.33 61.6 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.957 0.903 . . . . 0.0 112.076 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -46.51 58.69 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.343 1.057 . . . . 0.0 112.907 167.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -75.55 -31.62 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 C-N-CA 124.418 1.087 . . . . 0.0 110.236 -166.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -59.14 -49.56 77.41 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.258 -0.901 . . . . 0.0 110.435 162.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.67 132.64 53.0 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.214 -0.928 . . . . 0.0 112.759 -170.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -100.8 -36.58 9.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.133 -0.98 . . . . 0.0 109.291 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -98.25 -29.6 13.1 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -162.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 74.66 63.45 0.07 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 167.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.97 8.71 26.45 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.566 1.146 . . . . 0.0 112.628 155.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.31 25.73 72.5 Favored Glycine 0 CA--C 1.572 3.637 0 O-C-N 121.294 -0.879 . . . . 0.0 115.079 -165.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -118.21 166.3 12.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.332 -1.099 . . . . 0.0 111.68 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -128.45 125.19 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.075 -1.015 . . . . 0.0 110.241 161.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -101.27 171.83 7.36 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.111 -0.993 . . . . 0.0 112.775 -176.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -29.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.313 -0.867 . . . . 0.0 110.313 174.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -70.13 -29.91 66.95 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 94.2 mt-10 -76.7 -26.35 54.62 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.799 HD12 HG21 ' B' ' 43' ' ' ILE . 2.0 tm? -69.76 -40.64 75.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.21 -0.931 . . . . 0.0 111.784 -159.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.25 82.99 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.178 -0.951 . . . . 0.0 115.059 167.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.5 mm-40 -78.36 -32.33 48.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.241 -1.152 . . . . 0.0 113.87 163.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.901 HG22 HD23 ' A' ' 31' ' ' LEU . 61.0 mt -58.6 -72.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.233 -0.917 . . . . 0.0 110.25 166.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.901 HD23 HG22 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.51 -36.67 81.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -174.108 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.07 10.29 8.14 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.326 -0.859 . . . . 0.0 110.768 -155.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 161.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.61 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -67.4 -45.68 75.47 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.245 -0.909 . . . . 0.0 112.724 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.799 HG21 HD12 ' A' ' 27' ' ' LEU . 10.0 mt -58.8 -35.06 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 172.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -35.91 68.4 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -72.63 -34.44 67.31 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.001 0.92 . . . . 0.0 112.688 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.36 -44.61 96.88 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 160.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.49 -38.87 88.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.137 -0.977 . . . . 0.0 112.074 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -30.79 62.92 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 124.015 0.926 . . . . 0.0 110.18 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -66.94 -39.68 87.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.42 -0.8 . . . . 0.0 112.441 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.1 m -60.52 -33.13 72.2 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.157 -0.965 . . . . 0.0 112.724 166.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.93 148.19 38.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.16 -0.963 . . . . 0.0 112.628 -174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -53.34 0.76 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.14 -0.975 . . . . 0.0 110.129 157.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -75.02 10.67 1.37 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.55 30.92 20.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.912 -1.117 . . . . 0.0 113.266 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.33 74.74 6.95 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.261 -0.899 . . . . 0.0 112.69 155.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.91 -22.22 0.28 Allowed Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.132 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -92.0 138.81 31.23 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.19 -1.182 . . . . 0.0 113.851 168.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.847 HG23 ' HB2' ' B' ' 62' ' ' GLU . 58.4 mt -108.76 141.59 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.073 -1.017 . . . . 0.0 110.195 -159.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -115.81 177.35 4.71 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.238 1.015 . . . . 0.0 112.836 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -41.94 74.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 -168.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.847 ' HB2' HG23 ' B' ' 58' ' ' ILE . 6.0 mm-40 -28.09 -48.08 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 165.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.778 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 5.5 t80 -59.43 -39.1 82.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.431 -0.793 . . . . 0.0 112.223 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.81 HD23 HD12 ' A' ' 7' ' ' LEU . 7.1 mt -70.87 -21.47 62.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.313 -0.867 . . . . 0.0 111.777 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -85.27 -42.32 14.75 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.291 -0.881 . . . . 0.0 109.314 173.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.8 ttp -56.9 -20.37 22.91 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 8.9 mmt -98.18 -65.31 0.97 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.241 -0.912 . . . . 0.0 110.545 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.5 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.88 0 CA-C-O 121.185 0.517 . . . . 0.0 111.822 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -58.48 -32.98 69.28 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -85.63 -57.4 3.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -24.66 7.36 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 111.699 168.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.62 -62.26 1.51 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -47.26 -30.25 2.94 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.263 -0.898 . . . . 0.0 113.206 164.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.83 -31.44 45.8 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.653 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 76.5 t80 -74.21 -30.31 62.13 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 112.086 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -53.0 40.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.233 -0.917 . . . . 0.0 112.933 165.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.36 -31.57 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 C-N-CA 124.205 1.002 . . . . 0.0 110.309 -166.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' A' ' 30' ' ' ILE . 4.2 m-30 -45.37 -72.95 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.254 -0.904 . . . . 0.0 110.397 162.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.71 145.04 55.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.189 -0.945 . . . . 0.0 112.803 -154.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HD3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -62.99 -33.42 75.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.189 -0.944 . . . . 0.0 109.233 -166.074 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -136.55 -39.41 0.65 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -166.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.11 67.07 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 158.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.73 -17.63 64.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.902 . . . . 0.0 112.786 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.488 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 106.37 17.55 12.32 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 120.986 -1.071 . . . . 0.0 115.301 -169.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.488 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.6 m-30 -117.6 166.05 12.85 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.253 -1.145 . . . . 0.0 111.625 168.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.881 HG23 ' CD ' ' A' ' 26' ' ' GLU . 96.1 mt -119.58 127.82 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.022 -1.049 . . . . 0.0 110.198 165.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.36 165.51 11.45 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.054 -1.029 . . . . 0.0 112.66 -172.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -2.43 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.217 -0.927 . . . . 0.0 110.493 172.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.93 -40.81 23.96 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.511 -1.368 . . . . 0.0 113.613 164.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.881 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.91 -46.92 27.5 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -172.022 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.99 HD21 HD12 ' B' ' 43' ' ' ILE . 7.1 tt -40.27 -54.78 2.31 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 125.232 1.413 . . . . 0.0 112.059 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.86 -29.21 72.58 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 121.072 -1.017 . . . . 0.0 115.098 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 2.7 tp10 -59.89 -45.23 93.17 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.198 -1.178 . . . . 0.0 113.907 165.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 14' ' ' PHE . 20.5 mm -58.25 -59.38 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.226 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 1.041 HD12 HD11 ' B' ' 43' ' ' ILE . 0.4 OUTLIER -65.13 -37.37 87.21 Favored 'General case' 0 CA--C 1.575 1.907 0 O-C-N 121.023 -1.048 . . . . 0.0 111.428 -172.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -33.87 20.6 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.335 -0.853 . . . . 0.0 110.806 -171.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 166.255 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.61 -46.08 77.08 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -65.4 -36.41 83.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.227 -0.921 . . . . 0.0 112.702 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 1.041 HD11 HD12 ' A' ' 31' ' ' LEU . 2.4 mm -56.99 -48.68 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.988 . . . . 0.0 110.081 170.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -34.83 77.12 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.14 -45.83 89.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.31 -0.869 . . . . 0.0 112.663 168.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.45 -47.22 50.65 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.92 29.37 1.84 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.984 -1.072 . . . . 0.0 112.108 178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -126.09 -35.62 2.43 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.166 0.987 . . . . 0.0 109.991 156.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.4 -41.64 84.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.361 -0.837 . . . . 0.0 112.439 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 56.6 m -71.79 -39.51 69.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 112.909 162.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.49 3.29 28.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.188 -0.945 . . . . 0.0 112.717 -168.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -27.43 9.45 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.194 -0.941 . . . . 0.0 110.052 -169.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.04 17.38 0.34 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.193 -0.942 . . . . 0.0 113.229 -165.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.4 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.776 0.83 . . . . 0.0 112.758 171.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 1.11 58.57 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.605 1.162 . . . . 0.0 112.509 -153.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.61 48.79 3.1 Favored Glycine 0 CA--C 1.572 3.641 0 C-N-CA 124.399 1.0 . . . . 0.0 114.885 169.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -9.39 140.78 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 154.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.971 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.3 mt -92.97 134.24 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 C-N-CA 124.65 1.18 . . . . 0.0 110.316 -155.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -110.38 -179.76 3.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.013 -1.054 . . . . 0.0 112.862 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.76 -39.91 59.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.938 -1.101 . . . . 0.0 112.052 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.93 -84.14 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 125.031 2.348 . . . . 0.0 111.531 170.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.971 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.7 mt-10 -25.0 -35.86 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.718 0 C-N-CA 125.674 1.589 . . . . 0.0 113.828 167.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.653 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 3.7 t80 -61.73 -60.05 4.24 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.143 -0.973 . . . . 0.0 111.794 173.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.4 mt -51.75 -27.41 11.98 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.21 1.004 . . . . 0.0 111.803 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.36 -45.03 9.28 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.082 -1.011 . . . . 0.0 109.482 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.07 -24.12 6.32 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -91.33 -57.33 2.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.206 -0.934 . . . . 0.0 110.561 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.796 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.878 0 CA-C-O 121.287 0.565 . . . . 0.0 111.82 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.674 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 47.9 tt0 -61.32 -45.6 93.76 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 164.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -76.7 -49.3 16.4 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -25.1 25.22 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.218 -0.926 . . . . 0.0 111.773 163.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.91 -50.87 53.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -52.77 -48.97 66.44 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.267 -0.895 . . . . 0.0 113.279 166.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.91 69.08 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 171.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.657 ' HE1' HG13 ' A' ' 22' ' ' ILE . 20.8 t80 -75.67 -58.24 3.4 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.323 -0.861 . . . . 0.0 112.165 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -42.72 -46.77 5.23 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.165 0.986 . . . . 0.0 112.977 163.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -69.15 -42.87 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 C-N-CA 124.234 1.014 . . . . 0.0 110.249 -169.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.02 -36.4 74.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.301 -0.874 . . . . 0.0 110.408 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -80.89 109.44 15.46 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.246 -0.909 . . . . 0.0 112.827 -165.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.95 -70.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.077 -1.015 . . . . 0.0 109.232 -178.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -97.64 -18.73 18.73 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -161.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 77.52 69.67 0.05 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 159.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.16 -19.3 30.3 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.916 0.887 . . . . 0.0 112.701 160.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.55 1.9 53.23 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.282 -0.886 . . . . 0.0 115.246 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.456 ' HD2' ' NH1' ' B' ' 57' ' ' ARG . 22.9 m-30 -123.63 156.03 36.59 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.131 -1.217 . . . . 0.0 111.653 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.657 HG13 ' HE1' ' A' ' 11' ' ' PHE . 25.9 mt -106.92 146.81 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.032 -1.042 . . . . 0.0 110.275 170.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -122.7 176.18 6.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.217 -0.927 . . . . 0.0 112.747 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 tt -71.81 -27.09 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.129 -0.982 . . . . 0.0 110.269 -175.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.14 -35.43 74.05 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.073 -1.017 . . . . 0.0 113.724 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.57 -24.16 58.88 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.907 ' CD1' HG23 ' B' ' 43' ' ' ILE . 1.9 tm? -61.04 -74.83 0.07 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.156 0.982 . . . . 0.0 111.828 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -49.02 -49.91 28.65 Favored Glycine 0 CA--C 1.572 3.623 0 O-C-N 121.136 -0.978 . . . . 0.0 115.092 -175.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.48 -36.68 68.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.301 -1.117 . . . . 0.0 113.939 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.428 HG22 HD23 ' A' ' 31' ' ' LEU . 59.1 mt -43.61 -65.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.073 -1.017 . . . . 0.0 110.157 159.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.26 -34.18 60.21 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.091 -1.006 . . . . 0.0 111.417 -175.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.34 -29.94 19.94 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.353 -0.842 . . . . 0.0 110.811 -170.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -164.341 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.12 -35.76 79.72 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 172.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -59.22 -36.8 76.06 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.215 -0.928 . . . . 0.0 112.664 169.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.907 HG23 ' CD1' ' A' ' 27' ' ' LEU . 1.2 mp -70.08 -46.81 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 172.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -38.69 86.04 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.09 -36.91 66.88 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.998 0.919 . . . . 0.0 112.667 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.63 -45.3 94.66 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 17.0 tpt -78.7 -7.12 57.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.151 -0.968 . . . . 0.0 112.086 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -93.15 -33.8 13.88 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.151 -0.968 . . . . 0.0 109.973 164.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.4 -52.06 44.32 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.501 -0.749 . . . . 0.0 112.446 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.6 m -63.9 -42.73 97.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.201 -0.937 . . . . 0.0 112.854 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.08 179.8 4.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 112.706 -161.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.27 -138.33 0.16 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.143 -0.973 . . . . 0.0 109.589 154.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -69.53 -45.53 68.61 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.616 -1.302 . . . . 0.0 113.029 -155.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m120 53.54 98.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.983 0.913 . . . . 0.0 113.444 154.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -27.02 -37.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.252 1.021 . . . . 0.0 112.739 154.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.26 -25.95 0.1 OUTLIER Glycine 0 CA--C 1.572 3.6 0 O-C-N 121.066 -1.021 . . . . 0.0 115.404 154.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.456 ' NH1' ' HD2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -116.25 173.55 6.53 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.136 -1.214 . . . . 0.0 114.071 -154.388 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.968 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.4 mt -109.54 150.22 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 110.335 -171.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -120.23 174.86 6.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.075 -1.015 . . . . 0.0 112.826 166.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.04 -33.27 51.11 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.955 -1.09 . . . . 0.0 112.025 -171.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.32 -84.73 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.84 2.257 . . . . 0.0 111.271 170.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.968 ' HB2' HG23 ' B' ' 58' ' ' ILE . 8.7 mt-10 -28.58 -33.53 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.913 -1.494 . . . . 0.0 113.982 168.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -62.34 -53.5 54.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.718 -1.239 . . . . 0.0 111.973 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.72 -32.18 59.31 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.414 1.086 . . . . 0.0 111.838 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -85.74 -51.12 6.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.063 -1.023 . . . . 0.0 109.35 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.8 ttp -52.96 -30.21 33.5 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 171.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 36.3 tpp -77.52 -54.73 6.06 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.217 -0.927 . . . . 0.0 110.601 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 170.777 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.5 tt0 . . . . . 0 N--CA 1.498 1.931 0 CA-C-O 121.215 0.531 . . . . 0.0 111.836 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 6.4 tt0 -46.81 -55.7 7.48 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -41.08 96.51 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -173.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.113 HD22 HD23 ' B' ' 64' ' ' LEU . 5.1 mp -69.58 -21.54 63.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 111.711 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.42 -62.22 1.53 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -42.8 -53.06 4.78 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 113.232 162.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.2 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CD1' HD12 ' A' ' 22' ' ' ILE . 79.8 t80 -77.0 -30.05 55.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 0.0 112.13 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -68.73 -30.14 68.71 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.422 1.089 . . . . 0.0 113.027 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -79.72 -37.61 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 C-N-CA 124.359 1.064 . . . . 0.0 110.172 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CD1' HD12 ' A' ' 30' ' ' ILE . 10.8 m-30 -71.25 -28.72 64.36 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.841 0.856 . . . . 0.0 110.435 178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.709 ' OD2' ' HB3' ' A' ' 18' ' ' ALA . 61.6 t0 -40.38 141.23 0.54 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.212 1.005 . . . . 0.0 112.843 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 -38.85 4.39 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.205 -0.934 . . . . 0.0 109.29 165.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -128.19 -81.66 0.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.709 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . . . 72.47 83.32 0.13 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 157.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.03 -21.0 58.38 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.245 -0.909 . . . . 0.0 112.767 161.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -175.5 -31.16 0.04 OUTLIER Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.116 -0.99 . . . . 0.0 115.002 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.444 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.5 m-30 -111.57 161.38 16.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.256 -1.143 . . . . 0.0 111.748 -166.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.552 HD12 ' CD1' ' A' ' 11' ' ' PHE . 84.1 mt -115.24 121.55 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.021 -1.049 . . . . 0.0 110.266 168.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.16 177.23 4.92 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.965 -1.084 . . . . 0.0 112.761 -157.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -27.45 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.203 -0.936 . . . . 0.0 110.22 -178.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -27.42 56.23 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' OE1' HG23 ' A' ' 22' ' ' ILE . 49.9 mt-10 -66.26 -38.53 88.04 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 166.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.733 HD12 HG23 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -64.22 -68.22 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.197 -0.939 . . . . 0.0 111.883 -157.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.54 -51.3 1.39 Allowed Glycine 0 CA--C 1.572 3.643 0 O-C-N 121.17 -0.956 . . . . 0.0 115.144 173.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -75.97 -20.87 57.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.266 -1.138 . . . . 0.0 113.89 -171.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' A' ' 14' ' ' PHE . 23.9 mm -58.87 -69.81 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 156.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.52 -36.84 46.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.094 -1.004 . . . . 0.0 111.349 -173.484 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -23.85 11.89 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.327 -0.858 . . . . 0.0 110.823 -164.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 N--CA 1.497 1.911 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.96 -17.15 64.48 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.91 -37.94 19.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.172 -0.955 . . . . 0.0 112.698 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.733 HG23 HD12 ' A' ' 27' ' ' LEU . 1.7 mp -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.152 -0.968 . . . . 0.0 110.266 166.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -39.1 91.88 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.53 -37.33 84.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.367 -0.833 . . . . 0.0 112.645 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.06 -45.01 87.13 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 77.6 mmm -71.03 -48.23 54.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.982 -1.074 . . . . 0.0 112.052 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.85 -25.16 66.44 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.241 -0.912 . . . . 0.0 110.381 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.97 -57.95 5.89 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.878 -1.139 . . . . 0.0 112.399 168.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.4 p -66.09 -30.7 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.083 -1.01 . . . . 0.0 112.876 -168.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -82.78 134.48 35.12 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.222 -0.924 . . . . 0.0 112.682 -157.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -96.8 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 110.078 156.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -67.49 -6.74 21.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.217 -0.927 . . . . 0.0 113.355 -154.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 m120 62.79 38.14 11.91 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.15 -0.969 . . . . 0.0 113.303 170.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -72.7 -39.85 66.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.216 -0.928 . . . . 0.0 112.697 155.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.75 19.26 41.19 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.231 -0.918 . . . . 0.0 115.124 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -133.4 136.4 45.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -1.164 . . . . 0.0 113.859 170.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.547 HG23 ' HG3' ' B' ' 62' ' ' GLU . 70.3 mt -108.04 113.09 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.097 -1.002 . . . . 0.0 110.186 -154.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -94.14 163.45 13.46 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.907 -1.121 . . . . 0.0 113.16 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.467 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 40.9 t80 -51.81 -32.41 31.31 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.003 0.921 . . . . 0.0 112.034 -160.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -49.91 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 124.618 2.151 . . . . 0.0 111.362 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.547 ' HG3' HG23 ' B' ' 58' ' ' ILE . 10.5 pt-20 -38.37 -17.04 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 168.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.498 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 20.6 t80 -66.54 -58.82 4.4 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.747 -1.846 . . . . 0.0 112.059 162.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 1.113 HD23 HD22 ' A' ' 7' ' ' LEU . 19.0 mt -50.86 -28.56 9.77 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.591 1.156 . . . . 0.0 111.923 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -95.08 -21.8 18.31 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.119 -0.988 . . . . 0.0 109.604 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.1 ttp -73.45 -12.27 60.74 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.4 ttp -114.13 -40.45 3.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.212 -0.93 . . . . 0.0 110.546 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 175.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 1.1 mp0 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.137 0.494 . . . . 0.0 111.857 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -35.35 -60.34 0.49 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.52 -48.62 71.87 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.591 HD12 HD23 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -62.81 -36.17 82.31 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.219 -0.925 . . . . 0.0 111.704 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -51.07 31.46 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -39.48 -50.1 2.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.275 -0.891 . . . . 0.0 113.271 162.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.73 74.81 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 91.5 t80 -70.29 -31.22 68.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 112.119 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.879 ' HD2' HG12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -80.26 -38.8 30.21 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.24 -0.913 . . . . 0.0 112.944 170.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.879 HG12 ' HD2' ' A' ' 12' ' ' ARG . 1.9 mm -67.22 -38.82 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 C-N-CA 124.066 0.946 . . . . 0.0 110.291 -173.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.236 -0.915 . . . . 0.0 110.37 171.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.56 156.22 25.32 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.278 -0.889 . . . . 0.0 112.842 -167.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 15.1 mtmm -129.56 7.35 5.29 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.938 -167.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.498 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 179.93 83.71 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.216 -1.553 . . . . 0.0 114.588 -154.204 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 63.43 75.14 0.4 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -154.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.21 -21.73 0.3 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.376 -0.828 . . . . 0.0 112.714 168.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.74 -50.08 55.46 Favored Glycine 0 CA--C 1.572 3.618 0 O-C-N 121.142 -0.974 . . . . 0.0 115.209 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -116.94 156.06 28.06 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.245 -1.15 . . . . 0.0 111.735 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -115.36 158.34 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.227 -0.921 . . . . 0.0 110.266 166.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -126.85 168.82 13.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.006 -1.059 . . . . 0.0 112.67 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 tt -67.56 -29.63 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.178 -0.951 . . . . 0.0 110.253 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.85 -33.2 75.44 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 172.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -77.83 -25.37 48.78 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -66.96 -71.38 0.2 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.203 -0.936 . . . . 0.0 111.875 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -37.83 -61.39 1.13 Allowed Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.158 -0.964 . . . . 0.0 115.123 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.21 -30.86 71.93 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.307 -1.114 . . . . 0.0 113.931 -171.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.17 -74.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.186 -0.946 . . . . 0.0 110.253 156.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.606 HD23 HD22 ' A' ' 27' ' ' LEU . 4.5 pp -62.43 -4.22 1.78 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.29 -0.881 . . . . 0.0 111.681 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -64.79 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.229 -0.919 . . . . 0.0 110.808 168.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -164.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.63 72.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -61.56 -42.43 98.83 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.251 -0.906 . . . . 0.0 112.709 168.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mt -60.27 -58.56 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.143 -0.973 . . . . 0.0 110.191 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -32.89 74.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.052 -1.03 . . . . 0.0 113.776 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.32 -53.89 44.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.286 -0.884 . . . . 0.0 112.642 165.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.36 -61.39 2.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.113 -0.992 . . . . 0.0 113.671 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 27.5 ttt -89.58 -3.57 58.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.655 -1.278 . . . . 0.0 112.165 -159.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -37.08 11.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.163 -0.96 . . . . 0.0 109.909 163.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.46 -25.71 66.02 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.383 -0.823 . . . . 0.0 112.41 173.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -89.81 -48.99 6.89 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 0.0 112.859 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -72.77 130.3 40.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.702 -157.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -102.43 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.27 -0.894 . . . . 0.0 109.873 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -70.89 -7.27 44.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.848 -1.158 . . . . 0.0 113.301 -164.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.64 49.19 3.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.953 . . . . 0.0 113.266 163.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.02 -51.28 6.78 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.295 -0.878 . . . . 0.0 112.582 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -47.28 0.28 Allowed Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.257 -0.902 . . . . 0.0 115.209 173.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt-85 -112.63 158.72 19.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.305 -1.115 . . . . 0.0 113.866 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' B' ' 62' ' ' GLU . 66.0 mt -109.46 136.6 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.163 -0.961 . . . . 0.0 110.301 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -114.4 -178.27 3.33 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.225 1.01 . . . . 0.0 112.846 162.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -55.06 -34.88 63.96 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.015 -1.053 . . . . 0.0 112.033 -168.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -84.79 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.752 2.215 . . . . 0.0 111.39 172.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.615 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.1 mp0 -27.93 -35.91 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.821 167.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.6 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 56.2 t80 -61.85 -50.22 73.13 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.971 -1.081 . . . . 0.0 111.816 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.591 HD23 HD12 ' A' ' 7' ' ' LEU . 13.2 mt -56.85 -32.57 65.94 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 124.874 1.27 . . . . 0.0 111.882 175.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -85.65 -40.14 16.52 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.6 ttp -50.95 -36.12 37.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 169.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 7' ' ' LEU . 6.4 ptm -114.62 -14.8 12.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.174 -0.954 . . . . 0.0 110.537 -168.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 168.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 21.4 pt-20 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 121.148 0.499 . . . . 0.0 111.887 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -54.61 -47.84 72.93 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -171.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.93 -43.38 13.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.557 HD22 HD23 ' B' ' 64' ' ' LEU . 1.4 mp -60.96 -8.59 3.3 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 124.18 0.992 . . . . 0.0 111.806 163.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -89.87 -42.39 11.26 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -59.34 -37.18 77.18 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.169 -0.957 . . . . 0.0 113.226 160.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.67 -38.59 77.13 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 174.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.892 ' HD2' ' CD2' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -74.1 -44.69 53.03 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.206 -0.934 . . . . 0.0 112.316 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.51 -53.67 10.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.064 -1.022 . . . . 0.0 112.979 160.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -68.49 -27.23 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.317 1.047 . . . . 0.0 110.304 -168.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.97 -51.57 63.74 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.052 0.941 . . . . 0.0 110.429 171.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -74.3 127.91 34.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.153 -0.967 . . . . 0.0 112.792 -162.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.28 -21.15 27.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.172 -0.955 . . . . 0.0 109.388 -162.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -122.38 -28.1 4.34 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.528 1.306 . . . . 0.0 114.528 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.88 50.16 0.86 Allowed 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 163.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.22 -12.16 60.77 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.174 -0.954 . . . . 0.0 112.67 154.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.35 -18.09 4.45 Favored Glycine 0 CA--C 1.573 3.66 0 O-C-N 121.17 -0.956 . . . . 0.0 115.073 174.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -112.06 171.33 7.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.344 -1.092 . . . . 0.0 111.706 -155.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' CE1' ' A' ' 11' ' ' PHE . 5.7 mt -107.04 144.53 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 110.291 157.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.65 165.01 12.17 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.125 -0.984 . . . . 0.0 112.648 170.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -39.25 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.324 -0.86 . . . . 0.0 110.182 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.89 -29.92 63.53 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -174.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.766 ' O ' HD13 ' A' ' 30' ' ' ILE . 63.1 mt-10 -79.77 -18.25 51.48 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 HD23 ' A' ' 31' ' ' LEU . 6.1 tt -66.82 -61.12 2.12 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.219 -0.926 . . . . 0.0 111.868 -175.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.33 -54.3 7.42 Favored Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.094 -1.004 . . . . 0.0 115.18 166.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.56 -40.43 78.9 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.268 -1.136 . . . . 0.0 113.867 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.766 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -54.14 -77.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.14 -0.975 . . . . 0.0 110.245 162.494 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 HD23 ' A' ' 27' ' ' LEU . 4.6 pp -54.99 -22.67 16.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.11 -0.994 . . . . 0.0 111.626 -165.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -77.71 -68.64 0.61 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.249 -0.907 . . . . 0.0 110.752 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.88 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -157.643 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.87 -28.05 66.35 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -38.26 88.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.235 -0.916 . . . . 0.0 112.668 166.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.72 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.256 -0.902 . . . . 0.0 110.267 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -37.67 80.06 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.88 -42.64 85.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.37 -0.831 . . . . 0.0 112.724 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.7 -41.4 95.12 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 166.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 13.9 tpt -63.98 -8.89 12.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.186 -0.946 . . . . 0.0 112.087 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.41 -31.23 11.02 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.263 -0.898 . . . . 0.0 110.282 170.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.07 -51.08 58.84 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.399 -0.813 . . . . 0.0 112.447 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -77.68 -39.96 43.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.27 -0.894 . . . . 0.0 112.915 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.24 144.12 57.37 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.257 -0.902 . . . . 0.0 112.674 -169.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -144.72 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.149 -0.97 . . . . 0.0 109.96 155.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -1.43 8.22 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 m120 58.36 87.23 0.07 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.805 -1.185 . . . . 0.0 113.271 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -74.4 -44.5 51.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.186 -0.946 . . . . 0.0 112.728 158.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.0 -52.86 0.1 Allowed Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.092 -1.005 . . . . 0.0 115.068 167.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 177.52 7.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -1.138 . . . . 0.0 113.846 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.815 HD13 ' HE2' ' B' ' 66' ' ' MET . 51.4 mt -100.7 134.72 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.129 -0.982 . . . . 0.0 110.117 -159.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -111.38 173.03 6.54 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 124.402 1.081 . . . . 0.0 112.807 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.892 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 38.8 t80 -52.65 -31.7 38.28 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.867 -1.146 . . . . 0.0 112.119 -165.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -83.41 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.829 2.252 . . . . 0.0 111.508 168.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.78 ' HB2' HG23 ' B' ' 58' ' ' ILE . 15.4 mt-10 -25.56 -38.54 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.722 0 CA-C-N 113.778 -1.556 . . . . 0.0 113.684 166.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.686 ' HA ' ' HE3' ' B' ' 66' ' ' MET . 64.9 t80 -63.21 -50.66 69.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.039 -1.038 . . . . 0.0 112.121 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.557 HD23 HD22 ' A' ' 7' ' ' LEU . 52.8 mt -62.35 -39.5 93.34 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.524 1.13 . . . . 0.0 111.816 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -72.5 -39.0 67.99 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.051 -1.031 . . . . 0.0 109.381 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.815 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.6 ttm -70.48 -21.64 62.75 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 45.0 tpp -79.84 -61.72 1.9 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.292 -0.88 . . . . 0.0 110.547 166.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 N--CA 1.496 1.858 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.468 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.3 mp0 . . . . . 0 N--CA 1.497 1.916 0 CA-C-O 121.219 0.533 . . . . 0.0 111.787 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -40.64 -44.48 2.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.64 -47.37 54.89 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.697 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -71.52 -36.72 71.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.152 -0.968 . . . . 0.0 111.752 175.606 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.449 ' O ' ' HD2' ' A' ' 12' ' ' ARG . . . -56.65 -60.99 2.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 168.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -34.55 -71.39 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.024 0.93 . . . . 0.0 113.244 160.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.09 72.9 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.622 ' HE2' ' HB2' ' B' ' 60' ' ' PHE . 1.8 t80 -68.24 -40.25 82.03 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.183 -0.948 . . . . 0.0 112.17 175.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 8' ' ' ALA . 32.1 mtt180 -59.01 -38.98 80.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 112.949 162.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -71.68 -33.88 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.358 1.063 . . . . 0.0 110.247 -168.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 30' ' ' ILE . 4.8 m-30 -60.53 -41.89 95.35 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.31 -0.869 . . . . 0.0 110.445 166.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.74 141.97 44.39 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.193 -0.942 . . . . 0.0 112.732 -161.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -127.79 30.6 5.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -162.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -173.42 -39.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 83.98 44.02 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 154.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -68.99 -21.58 64.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.206 -0.934 . . . . 0.0 112.595 154.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.0 -28.94 3.44 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.263 -0.898 . . . . 0.0 115.332 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.43 167.2 10.2 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.191 -1.182 . . . . 0.0 111.653 -167.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' HE1' ' A' ' 11' ' ' PHE . 2.1 mt -95.79 159.13 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.187 -0.945 . . . . 0.0 110.329 166.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -124.47 -178.25 4.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.241 -0.912 . . . . 0.0 112.753 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.53 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.6 -37.01 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.235 -0.915 . . . . 0.0 110.223 178.342 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.19 -33.8 73.92 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.7 -34.99 60.43 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' B' ' 43' ' ' ILE . 1.0 OUTLIER -43.44 -63.38 0.84 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 111.967 175.002 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.2 -47.03 85.13 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.078 -1.014 . . . . 0.0 115.171 -174.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 48.2 mm-40 -62.76 -35.79 80.95 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.257 -1.143 . . . . 0.0 113.885 173.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.436 HD11 HD13 ' A' ' 22' ' ' ILE . 11.9 mt -48.26 -65.18 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.029 -1.044 . . . . 0.0 110.178 162.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 32' ' ' ARG . 2.3 pp -64.73 -19.9 66.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 111.599 -164.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.664 ' HB2' HD12 ' A' ' 31' ' ' LEU . 14.2 ttm-85 -114.05 -14.2 12.41 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.067 -1.021 . . . . 0.0 111.044 -169.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.931 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.57 -35.39 75.96 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.9 -50.67 72.87 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.185 -0.947 . . . . 0.0 112.652 171.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.53 HG22 HD11 ' A' ' 24' ' ' ILE . 11.4 mt -61.95 -38.0 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.158 -0.964 . . . . 0.0 110.239 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.5 75.82 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.76 -46.02 66.77 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.903 0.881 . . . . 0.0 112.69 170.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 tt -63.78 -46.5 84.93 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.5 ttt -63.97 -32.57 74.15 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.021 -1.049 . . . . 0.0 112.068 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -85.73 -8.69 58.01 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 110.542 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -67.09 -67.2 0.47 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.113 -1.617 . . . . 0.0 112.451 154.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.2 p -64.09 -41.99 97.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.956 -1.09 . . . . 0.0 112.822 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -53.73 133.59 42.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.193 -0.942 . . . . 0.0 112.706 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -95.48 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.979 -1.076 . . . . 0.0 110.154 158.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.75 -23.59 63.35 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.235 -0.916 . . . . 0.0 113.382 -154.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 59.32 80.92 0.18 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.174 -0.954 . . . . 0.0 113.277 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.73 14.8 2.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.942 . . . . 0.0 112.841 166.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.9 -19.91 24.91 Favored Glycine 0 CA--C 1.571 3.555 0 O-C-N 120.758 -1.214 . . . . 0.0 115.663 154.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 mtt85 -118.51 165.16 14.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.048 -1.266 . . . . 0.0 113.992 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.983 HG23 ' HB2' ' B' ' 62' ' ' GLU . 72.9 mt -112.52 135.81 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.173 -0.954 . . . . 0.0 110.496 170.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -122.68 179.17 4.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.015 -1.053 . . . . 0.0 112.837 168.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.622 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -53.87 -32.07 51.91 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.832 -1.168 . . . . 0.0 112.035 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.68 -83.86 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 124.91 2.29 . . . . 0.0 111.615 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.983 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.6 OUTLIER -25.53 -37.0 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.813 165.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.02 -52.68 61.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.207 -0.933 . . . . 0.0 111.885 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.697 HD23 HD12 ' A' ' 7' ' ' LEU . 57.2 mt -60.4 -29.03 68.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.338 1.055 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -43.79 20.09 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -16.17 5.27 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 173.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.22 -53.44 4.85 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.142 -0.974 . . . . 0.0 110.529 165.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -167.087 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 3.9 mt-10 . . . . . 0 N--CA 1.497 1.921 0 CA-C-O 121.259 0.552 . . . . 0.0 111.879 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.2 tt0 -80.98 -37.19 29.72 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -159.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -32.8 69.76 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.47 HD11 ' OE2' ' B' ' 68' ' ' GLU . 4.0 mt -68.88 -20.26 64.26 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.039 0.935 . . . . 0.0 111.781 162.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -74.2 -48.51 28.57 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 168.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -56.61 -40.8 75.95 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.299 -0.875 . . . . 0.0 113.231 166.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.28 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 0.8 OUTLIER -69.12 -31.87 70.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.84 . . . . 0.0 112.082 175.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -64.73 -46.77 80.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.233 -0.917 . . . . 0.0 112.952 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -76.57 -31.43 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.382 1.073 . . . . 0.0 110.216 -165.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CD1' HD11 ' A' ' 30' ' ' ILE . 22.1 m-30 -61.76 -52.32 64.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.347 -0.845 . . . . 0.0 110.425 166.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -67.69 98.8 0.73 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.15 -0.968 . . . . 0.0 112.805 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -12.71 60.0 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.127 -0.983 . . . . 0.0 109.386 -163.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -101.08 -35.24 9.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 172.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 71.34 49.4 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 174.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.6 11.89 20.58 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.195 -0.941 . . . . 0.0 112.655 162.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.99 6.89 84.52 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.214 -0.929 . . . . 0.0 115.113 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -115.8 156.68 25.61 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.359 -1.083 . . . . 0.0 111.653 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.843 HG23 ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.77 150.68 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.119 -0.988 . . . . 0.0 110.273 162.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.19 162.15 19.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.258 -0.901 . . . . 0.0 112.69 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.98 -23.06 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.288 -0.882 . . . . 0.0 110.329 178.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -75.74 -35.5 60.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.904 -1.123 . . . . 0.0 113.722 173.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.843 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.05 -52.95 29.46 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.707 ' HG ' HD23 ' A' ' 31' ' ' LEU . 6.2 tp -39.65 -77.83 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 124.248 1.019 . . . . 0.0 111.834 174.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.502 ' HA2' HD21 ' A' ' 31' ' ' LEU . . . -51.45 -37.73 40.95 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.158 -0.964 . . . . 0.0 115.105 -170.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -56.97 -58.41 8.28 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.234 -1.156 . . . . 0.0 113.865 170.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.2 mt -51.6 -58.39 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.162 -0.961 . . . . 0.0 110.205 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.707 HD23 ' HG ' ' A' ' 27' ' ' LEU . 4.4 pp -63.35 -32.06 73.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.002 -1.061 . . . . 0.0 111.618 -170.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.57 ' CG ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.77 35.14 4.53 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.224 -0.923 . . . . 0.0 110.784 -169.186 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 167.673 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.33 -39.61 89.36 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -65.65 0.53 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.194 -0.941 . . . . 0.0 112.648 165.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.562 HG23 HD23 ' A' ' 27' ' ' LEU . 1.6 mp -66.35 -38.02 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.046 -1.034 . . . . 0.0 110.28 -168.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.13 -34.11 65.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -65.79 -47.04 76.47 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.323 -0.861 . . . . 0.0 112.702 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.41 -43.86 97.81 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 169.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.39 13.17 2.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.071 -1.018 . . . . 0.0 112.074 169.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -102.0 -40.02 7.06 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.058 0.943 . . . . 0.0 109.925 157.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -67.59 -40.11 84.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.446 -0.784 . . . . 0.0 112.505 -171.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.7 m -104.35 -7.94 19.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.237 -0.914 . . . . 0.0 113.099 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.64 26.57 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.036 -1.04 . . . . 0.0 112.673 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -41.4 93.99 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.172 -0.955 . . . . 0.0 109.95 -164.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -73.54 5.04 4.14 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 m120 63.42 41.2 7.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.788 -1.195 . . . . 0.0 113.259 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -94.39 66.69 3.39 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.086 0.955 . . . . 0.0 112.684 156.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.49 -19.95 0.17 Allowed Glycine 0 CA--C 1.572 3.635 0 O-C-N 121.161 -0.962 . . . . 0.0 115.115 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 151.47 41.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.306 -1.114 . . . . 0.0 113.811 159.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.846 HG23 ' HB2' ' B' ' 62' ' ' GLU . 71.8 mt -108.37 148.42 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.097 -1.002 . . . . 0.0 110.187 -154.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.48 179.54 3.97 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.967 -1.083 . . . . 0.0 112.855 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.454 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 1.4 t80 -66.16 -32.24 73.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.905 -1.122 . . . . 0.0 112.044 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -83.87 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 124.947 2.308 . . . . 0.0 111.248 165.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.846 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.5 mm-40 -25.78 -37.87 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.712 0 CA-C-N 113.788 -1.551 . . . . 0.0 113.847 166.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 48.9 t80 -60.94 -50.77 72.06 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.211 -0.931 . . . . 0.0 111.884 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.34 -35.21 69.63 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 124.232 1.013 . . . . 0.0 111.897 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -42.25 70.57 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.095 -1.003 . . . . 0.0 109.383 172.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -75.6 -35.59 60.51 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -164.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.6 mtt -78.68 -70.3 0.51 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.217 -0.927 . . . . 0.0 110.564 157.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.47 ' OE2' HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -159.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.936 ' HG2' HD21 ' B' ' 64' ' ' LEU 0.258 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 121.278 0.561 . . . . 0.0 111.844 . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.1 tt0 -89.96 -68.26 0.79 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -168.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -26.78 59.09 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 168.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.9 66.14 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.051 0.94 . . . . 0.0 111.737 165.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -74.01 -57.17 4.15 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 173.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -31.71 -53.54 0.26 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.231 -0.918 . . . . 0.0 113.253 158.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.91 58.24 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.605 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 14.9 t80 -70.77 -34.59 71.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.222 -0.923 . . . . 0.0 112.092 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -32.09 35.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.189 -0.944 . . . . 0.0 112.92 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.65 -30.83 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.996 0.918 . . . . 0.0 110.333 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -71.66 -56.17 6.33 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.883 0.873 . . . . 0.0 110.341 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.39 130.25 42.32 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.24 -0.913 . . . . 0.0 112.804 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 26.68 6.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.967 . . . . 0.0 109.376 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 3.1 p30 -124.59 -32.53 3.11 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.52 43.73 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 156.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -71.92 -19.52 61.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 124.014 0.926 . . . . 0.0 112.698 160.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.23 -0.04 40.86 Favored Glycine 0 CA--C 1.571 3.562 0 N-CA-C 115.443 0.937 . . . . 0.0 115.443 -167.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.08 161.41 18.94 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.978 -1.307 . . . . 0.0 111.741 -171.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.41 137.04 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 124.059 0.944 . . . . 0.0 110.293 164.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -118.55 162.12 18.9 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.154 -0.966 . . . . 0.0 112.727 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' B' ' 47' ' ' MET . 1.2 tp -64.42 -36.03 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.147 -0.971 . . . . 0.0 110.19 -174.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.93 -30.24 63.73 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -78.45 -17.62 56.06 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 HD11 ' A' ' 31' ' ' LEU . 2.0 tm? -68.8 -69.19 0.34 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.27 -0.894 . . . . 0.0 111.939 -171.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.493 ' CA ' HD12 ' A' ' 31' ' ' LEU . . . -25.17 -68.51 0.04 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.218 -0.926 . . . . 0.0 115.186 161.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.8 -28.52 69.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.255 -1.144 . . . . 0.0 113.872 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -61.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.145 -0.972 . . . . 0.0 110.211 164.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.38 -20.69 20.57 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.169 -0.957 . . . . 0.0 111.332 174.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 43.3 3.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.359 -0.838 . . . . 0.0 110.814 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 164.605 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.78 -43.11 97.33 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.74 -43.44 62.92 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.221 -0.924 . . . . 0.0 112.67 167.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.42 -36.13 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 110.251 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -40.16 91.59 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.05 -25.62 67.9 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.389 -0.819 . . . . 0.0 112.65 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.473 HD13 ' C ' ' B' ' 46' ' ' LEU . 3.3 tm? -73.53 -50.26 22.33 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.444 ' HG3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -92.06 13.17 19.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.873 -1.142 . . . . 0.0 112.072 -176.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -99.08 -45.13 6.04 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.014 0.925 . . . . 0.0 109.937 155.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.57 -47.31 70.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.699 . . . . 0.0 112.438 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -88.58 -20.48 24.95 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.257 -0.902 . . . . 0.0 112.865 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.89 -136.02 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.126 -0.984 . . . . 0.0 112.576 171.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 -118.14 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.619 -1.301 . . . . 0.0 109.94 156.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -73.92 12.18 0.74 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.275 . . . . 0.0 113.435 -170.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 m120 76.61 32.71 0.53 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.983 -1.073 . . . . 0.0 113.161 158.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -122.99 53.26 1.3 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.054 1.342 . . . . 0.0 112.579 154.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.9 49.16 0.86 Allowed Glycine 0 CA--C 1.571 3.538 0 N-CA-C 115.58 0.992 . . . . 0.0 115.58 -161.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 134.73 0.91 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.252 -1.146 . . . . 0.0 113.737 154.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.734 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.8 mt -90.96 144.42 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 C-N-CA 124.533 1.133 . . . . 0.0 110.265 -154.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -122.19 172.96 7.89 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.253 1.021 . . . . 0.0 112.697 165.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.585 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -58.24 -32.53 68.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.038 -1.039 . . . . 0.0 112.279 -160.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -78.94 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.702 0 O-C-N 120.747 -1.221 . . . . 0.0 113.525 162.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.734 ' HB2' HG23 ' B' ' 58' ' ' ILE . 32.8 mt-10 -36.71 -32.86 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 172.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.605 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 54.3 t80 -58.5 -49.75 76.22 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.394 -1.441 . . . . 0.0 111.836 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.936 HD21 ' HG2' ' A' ' 4' ' ' GLU . 25.8 mt -61.3 -28.33 69.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.749 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -80.21 -37.98 32.09 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.131 -0.98 . . . . 0.0 109.253 175.047 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 19.2 ttm -62.39 -53.18 58.7 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 31.7 tpp -62.93 -71.96 0.15 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.239 -0.913 . . . . 0.0 110.543 167.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.923 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -158.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 8.4 pt-20 . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 120.998 0.428 . . . . 0.0 112.143 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.66 -66.68 0.4 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.958 -1.089 . . . . 0.0 113.897 -164.637 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -26.9 68.68 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -172.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -22.28 50.51 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.047 0.939 . . . . 0.0 111.7 170.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.588 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -71.84 -58.52 3.39 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -38.28 -50.28 1.44 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.312 -0.868 . . . . 0.0 113.288 160.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.89 66.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -174.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.703 ' HE2' ' CA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -68.95 -37.71 79.0 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.052 0.941 . . . . 0.0 112.104 176.497 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -83.36 -4.27 58.31 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.146 -0.971 . . . . 0.0 112.957 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mm -82.3 -44.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.4 1.08 . . . . 0.0 110.14 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.606 ' HB3' HD11 ' A' ' 30' ' ' ILE . 6.4 m-30 -67.2 -30.92 70.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.357 -0.84 . . . . 0.0 110.353 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -82.06 129.8 34.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.267 -0.896 . . . . 0.0 112.876 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -87.33 -49.89 6.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.086 -1.009 . . . . 0.0 109.382 -169.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.496 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 31.5 t30 -99.07 -27.19 13.95 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.1 46.67 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 159.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -88.71 -3.34 58.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.993 0.917 . . . . 0.0 112.95 157.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.1 8.67 35.78 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 120.69 -1.256 . . . . 0.0 115.339 170.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.23 158.73 23.81 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.108 -1.231 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.56 HG23 ' OE2' ' A' ' 26' ' ' GLU . 7.7 mt -101.28 131.35 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.045 -1.034 . . . . 0.0 110.28 162.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.73 173.5 6.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.196 -0.94 . . . . 0.0 112.657 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -26.76 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.228 -0.92 . . . . 0.0 110.304 173.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -33.92 64.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.978 -1.076 . . . . 0.0 113.772 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' OE2' HG23 ' A' ' 22' ' ' ILE . 1.2 pp20? -71.42 -49.59 40.25 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.746 HD11 HD12 ' B' ' 46' ' ' LEU . 7.6 tt -39.38 -58.13 1.28 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.085 1.354 . . . . 0.0 112.022 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.96 58.92 Favored Glycine 0 CA--C 1.572 3.608 0 O-C-N 121.181 -0.949 . . . . 0.0 115.094 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -30.2 46.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.274 -1.133 . . . . 0.0 113.91 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.606 HD11 ' HB3' ' A' ' 14' ' ' PHE . 8.6 mt -59.18 -70.33 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.198 -0.939 . . . . 0.0 110.277 163.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.41 2.99 0.22 Allowed 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.104 -0.997 . . . . 0.0 111.483 -175.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -97.2 -50.32 4.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.242 -0.911 . . . . 0.0 110.89 163.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -160.695 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.496 1.825 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.06 -18.89 64.06 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -176.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.905 . . . . 0.0 112.638 162.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 27' ' ' LEU . 1.6 mp -65.73 -33.63 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.31 -0.868 . . . . 0.0 110.271 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.48 75.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 176.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -61.22 -32.82 72.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.259 -0.901 . . . . 0.0 112.622 165.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.746 HD12 HD11 ' A' ' 27' ' ' LEU . 2.8 tm? -79.27 -44.08 22.43 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 2.9 tpt -88.11 0.07 56.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.103 -0.998 . . . . 0.0 112.18 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -45.67 14.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.184 -0.948 . . . . 0.0 109.751 157.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.5 -28.77 68.12 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.579 -0.701 . . . . 0.0 112.469 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -93.31 -5.42 49.72 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.251 -0.906 . . . . 0.0 113.14 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.39 109.29 3.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.841 -1.162 . . . . 0.0 112.741 -174.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -68.81 -122.9 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.075 -1.016 . . . . 0.0 109.833 154.721 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -71.56 -58.92 3.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.939 -1.101 . . . . 0.0 113.212 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 59.24 97.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.227 -0.921 . . . . 0.0 113.22 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.12 -34.48 78.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.184 -0.948 . . . . 0.0 112.658 156.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.34 -30.48 0.09 OUTLIER Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.232 -0.917 . . . . 0.0 114.971 -171.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 173.99 14.47 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -1.108 . . . . 0.0 113.851 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.795 HG23 ' CB ' ' B' ' 62' ' ' GLU . 78.3 mt -109.41 154.43 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.138 -0.976 . . . . 0.0 110.183 -170.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -121.7 -160.88 0.88 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.687 158.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.703 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 2.3 t80 -72.32 -33.76 67.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.093 -1.004 . . . . 0.0 112.095 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -47.82 -82.8 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.22 0 CA-C-O 124.689 2.185 . . . . 0.0 111.305 167.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.795 ' CB ' HG23 ' B' ' 58' ' ' ILE . 1.5 mp0 -22.92 -47.5 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.536 163.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.03 -51.16 71.24 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 121.74 0.781 . . . . 0.0 112.158 -176.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -54.88 -34.69 63.28 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.732 1.613 . . . . 0.0 112.084 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -85.36 -34.32 21.83 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.978 -1.077 . . . . 0.0 109.338 -173.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.4 ttp -72.06 -29.46 64.17 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -97.22 -30.44 12.99 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.25 -0.906 . . . . 0.0 110.551 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 170.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 4.6 mt-10 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.44 -34.79 72.88 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.741 -1.224 . . . . 0.0 113.837 -154.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HG2' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.88 -48.14 82.47 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 166.338 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.531 HD23 ' HG2' ' A' ' 6' ' ' GLU . 2.4 mt -78.07 -17.53 56.89 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.277 1.031 . . . . 0.0 111.736 -174.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -53.04 10.82 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 164.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -44.23 -49.39 9.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 113.307 164.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' O ' ' HD2' ' A' ' 14' ' ' PHE . . . -72.1 -36.89 69.59 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 89.8 t80 -69.77 -33.01 71.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.273 -0.892 . . . . 0.0 112.251 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.55 -39.85 30.9 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.084 -1.01 . . . . 0.0 112.888 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -59.96 -35.21 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.288 -0.883 . . . . 0.0 110.268 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.548 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 19.6 m-85 -66.38 -46.43 76.69 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.263 -0.898 . . . . 0.0 110.471 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -65.83 116.94 7.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.172 -0.955 . . . . 0.0 112.761 -157.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -57.33 -39.18 75.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.014 -1.054 . . . . 0.0 109.209 -168.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -129.44 -15.35 4.07 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -157.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.26 46.45 0.43 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -13.51 62.24 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.283 -0.886 . . . . 0.0 112.643 160.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.46 5.3 82.13 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.292 -0.88 . . . . 0.0 115.043 -160.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.6 169.25 9.2 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.326 -1.103 . . . . 0.0 111.624 173.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.761 HG23 ' CD ' ' A' ' 26' ' ' GLU . 5.8 mt -114.8 132.59 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.07 -1.019 . . . . 0.0 110.245 165.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.16 176.91 5.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.114 -0.991 . . . . 0.0 112.717 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.517 HD13 ' HG2' ' B' ' 47' ' ' MET . 3.4 tp -66.78 -32.61 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.17 -0.956 . . . . 0.0 110.238 169.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.61 -18.58 51.26 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -172.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.761 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.45 -46.3 70.17 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 160.575 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.74 -50.86 61.4 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.286 -0.884 . . . . 0.0 111.875 -159.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.19 -56.73 1.14 Allowed Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.113 -0.992 . . . . 0.0 115.151 166.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' A' ' 33' ' ' ALA . 2.1 tp10 -58.74 -41.94 87.63 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.35 -1.088 . . . . 0.0 113.883 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.1 -55.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.229 -0.92 . . . . 0.0 110.26 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mt -54.83 -44.14 73.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.92 -1.112 . . . . 0.0 111.329 168.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -82.52 -77.45 0.23 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.331 -0.856 . . . . 0.0 110.778 -170.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.896 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -170.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.903 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -16.72 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.34 -38.55 55.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.19 -0.944 . . . . 0.0 112.674 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.78 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.202 -0.936 . . . . 0.0 110.229 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -32.63 74.25 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -81.26 -38.07 27.49 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.192 0.997 . . . . 0.0 112.629 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.52 -47.43 73.12 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 166.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.517 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -73.96 -27.62 61.09 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.014 -1.054 . . . . 0.0 111.983 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -74.88 -26.21 59.5 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.284 -0.885 . . . . 0.0 109.97 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -52.11 44.98 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.936 -1.102 . . . . 0.0 112.473 160.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -69.98 -26.96 64.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.284 -0.885 . . . . 0.0 112.892 -163.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -79.95 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.222 -0.924 . . . . 0.0 112.665 -162.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.08 -149.93 0.32 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.67 -168.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -56.43 -9.46 0.71 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.978 -1.076 . . . . 0.0 113.28 168.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 m120 78.16 108.49 0.07 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.201 -0.937 . . . . 0.0 113.204 154.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.23 -43.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.218 -0.926 . . . . 0.0 112.647 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.56 -53.86 0.07 OUTLIER Glycine 0 CA--C 1.571 3.562 0 O-C-N 121.178 -0.951 . . . . 0.0 115.234 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -113.39 162.41 16.13 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.263 -1.14 . . . . 0.0 113.915 -154.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.938 HG23 ' HB2' ' B' ' 62' ' ' GLU . 55.5 mt -108.21 149.33 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -115.33 -178.83 3.47 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 124.179 0.991 . . . . 0.0 112.81 166.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.484 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -63.98 -37.2 86.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.752 -1.218 . . . . 0.0 112.092 -168.109 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -77.69 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.68 0 O-C-N 120.6 -1.312 . . . . 0.0 113.53 163.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.938 ' HB2' HG23 ' B' ' 58' ' ' ILE . 49.7 mm-40 -34.07 -42.59 0.13 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -54.73 -45.96 74.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.723 -1.235 . . . . 0.0 111.974 177.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.515 ' CD2' HD12 ' A' ' 7' ' ' LEU . 51.8 mt -64.09 -43.44 95.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.268 -0.895 . . . . 0.0 111.8 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -20.13 25.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 -171.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttm -68.98 -47.39 65.7 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 163.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 24.1 ttm -59.82 -47.01 87.45 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.219 -0.925 . . . . 0.0 110.541 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 174.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.2 pt-20 . . . . . 0 N--CA 1.498 1.942 0 CA-C-O 121.156 0.503 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.05 -57.69 11.08 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -163.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.6 -22.45 62.54 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.728 HD12 ' CD2' ' B' ' 64' ' ' LEU . 4.4 mt -87.85 -21.42 25.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 111.766 174.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.7 -51.58 18.75 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 165.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -51.03 -42.82 60.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.236 -0.915 . . . . 0.0 113.212 163.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -68.96 -38.65 79.55 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 177.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.855 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 45.3 t80 -75.38 -33.4 61.01 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.247 -0.908 . . . . 0.0 112.196 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.33 -62.5 1.68 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.149 -0.97 . . . . 0.0 112.925 158.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -59.49 -30.35 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 -165.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.816 ' CE2' HG21 ' A' ' 30' ' ' ILE . 5.7 m-30 -57.16 -58.17 9.37 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 124.022 0.929 . . . . 0.0 110.465 170.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.53 134.89 46.79 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 112.812 -168.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' OE1' ' A' ' 26' ' ' GLU . 3.0 mmmm -82.12 -38.1 25.29 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.124 -0.985 . . . . 0.0 109.391 -168.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.7 m120 -108.83 -21.15 12.8 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 77.51 43.22 0.11 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 161.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.88 -15.62 61.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.199 -0.938 . . . . 0.0 112.804 157.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.96 20.54 46.14 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.073 -1.017 . . . . 0.0 115.111 -175.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.3 161.26 20.73 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.288 -1.125 . . . . 0.0 111.713 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.46 161.11 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.236 -0.915 . . . . 0.0 110.282 165.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -120.53 163.87 17.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.093 -1.004 . . . . 0.0 112.644 169.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.697 HD13 ' HG3' ' B' ' 47' ' ' MET . 0.2 OUTLIER -57.51 -36.3 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.308 -0.87 . . . . 0.0 110.154 175.025 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.29 -33.34 69.63 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.661 ' O ' HD12 ' A' ' 30' ' ' ILE . 18.6 mt-10 -77.84 -37.53 48.24 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 173.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.686 HD23 HG23 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -43.92 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.224 -0.922 . . . . 0.0 111.903 -179.021 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.74 -40.72 6.78 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.114 -0.991 . . . . 0.0 115.153 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.53 -29.92 56.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.273 -1.133 . . . . 0.0 113.884 -177.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.816 HG21 ' CE2' ' A' ' 14' ' ' PHE . 6.0 mt -52.94 -64.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.25 -0.906 . . . . 0.0 110.199 161.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.54 -47.54 63.37 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 121.089 -1.007 . . . . 0.0 111.403 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -31.96 14.93 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -164.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 176.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -33.36 71.62 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.17 -41.11 50.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.185 -0.947 . . . . 0.0 112.647 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.686 HG23 HD23 ' A' ' 27' ' ' LEU . 6.0 mt -52.31 -51.61 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.11 -0.994 . . . . 0.0 110.134 170.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -36.13 79.37 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.52 -32.56 72.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.31 -0.869 . . . . 0.0 112.683 173.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.59 -45.98 91.82 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 164.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.697 ' HG3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -82.88 -3.69 57.2 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.128 -0.982 . . . . 0.0 112.181 -176.238 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 -45.16 7.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.211 -0.931 . . . . 0.0 109.854 162.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.44 -40.57 85.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.599 -0.688 . . . . 0.0 112.449 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -79.63 -15.9 56.78 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.323 -0.861 . . . . 0.0 112.959 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.65 -176.34 1.93 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.147 -0.971 . . . . 0.0 112.701 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 -124.17 0.09 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.161 -0.962 . . . . 0.0 109.892 -162.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -77.73 19.41 0.39 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 m120 79.54 36.74 0.14 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.277 1.031 . . . . 0.0 113.149 156.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 64.21 8.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.25 -0.906 . . . . 0.0 112.481 154.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -40.91 -37.72 1.46 Allowed Glycine 0 CA--C 1.572 3.604 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 -160.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.47 136.21 55.36 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.177 -1.19 . . . . 0.0 113.783 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.751 HG23 ' CB ' ' B' ' 62' ' ' GLU . 63.0 mt -103.19 152.39 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.156 -0.965 . . . . 0.0 110.156 -155.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.73 -174.75 2.75 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.126 -0.984 . . . . 0.0 112.745 169.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -47.79 82.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.95 -1.094 . . . . 0.0 112.183 -164.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -77.72 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.779 0 O-C-N 120.953 -1.092 . . . . 0.0 113.843 166.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.751 ' CB ' HG23 ' B' ' 58' ' ' ILE . 0.8 OUTLIER -26.82 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.68 1.192 . . . . 0.0 113.778 172.098 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.855 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 1.8 t80 -55.68 -55.13 35.84 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.408 -0.807 . . . . 0.0 112.309 176.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.728 ' CD2' HD12 ' A' ' 7' ' ' LEU . 30.6 mt -57.37 -33.36 67.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.206 -0.934 . . . . 0.0 111.771 -173.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -40.27 15.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 176.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -57.44 -20.44 30.36 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 172.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.518 ' CE ' HD13 ' A' ' 7' ' ' LEU . 7.7 ttp -97.0 -45.52 6.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.234 -0.916 . . . . 0.0 110.545 174.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -175.309 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.6 mt-10 . . . . . 0 CA--C 1.576 1.944 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 6' ' ' GLU . 18.3 tt0 -22.15 -61.84 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 125.953 1.701 . . . . 0.0 115.192 -163.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -91.64 -12.59 33.76 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.929 -1.107 . . . . 0.0 113.941 -164.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 1.7 mt -86.52 -24.47 25.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.072 -1.017 . . . . 0.0 111.707 164.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.33 70.84 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 163.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.79 -39.38 91.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.201 -0.937 . . . . 0.0 113.313 166.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -61.21 -41.89 97.64 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 87.7 t80 -73.94 -37.19 64.64 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 112.05 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.792 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -71.51 -40.16 70.31 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.286 -0.884 . . . . 0.0 112.959 170.173 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.4 -29.95 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.148 -0.97 . . . . 0.0 110.304 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' A' ' 30' ' ' ILE . 2.4 m-30 -68.39 -43.55 77.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.259 -0.9 . . . . 0.0 110.347 174.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -70.7 107.09 3.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.162 -0.961 . . . . 0.0 112.84 -166.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.12 20.08 6.25 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.181 -0.949 . . . . 0.0 110.192 -172.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.48 -19.08 0.48 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.28 45.09 3.02 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 159.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.07 -22.64 42.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.2 -0.937 . . . . 0.0 112.612 154.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.74 -19.56 4.71 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.23 -0.919 . . . . 0.0 115.342 -171.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -105.85 167.75 9.57 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.272 -1.134 . . . . 0.0 111.749 -157.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.505 HG23 ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -101.22 128.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -0.916 . . . . 0.0 110.262 158.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -110.82 177.58 4.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.153 -0.967 . . . . 0.0 112.758 -168.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.11 -31.39 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.18 -0.95 . . . . 0.0 110.293 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -29.41 54.43 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.34 -50.78 43.18 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD22 HD23 ' A' ' 31' ' ' LEU . 1.8 tm? -38.68 -55.49 1.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.409 1.484 . . . . 0.0 112.102 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.87 -36.99 12.16 Favored Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.094 -1.004 . . . . 0.0 115.095 -167.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.64 -45.6 89.47 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.191 -1.182 . . . . 0.0 113.881 169.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' A' ' 14' ' ' PHE . 1.4 mm -62.33 -65.43 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.153 -0.967 . . . . 0.0 110.274 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.552 HD23 HD22 ' A' ' 27' ' ' LEU . 3.3 pp -49.48 -22.86 1.32 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.217 -0.927 . . . . 0.0 111.539 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -84.18 -81.45 0.18 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.249 -0.907 . . . . 0.0 110.796 166.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.909 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -160.211 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.497 1.893 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.3 -25.7 64.36 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -50.6 -60.95 2.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.188 -0.945 . . . . 0.0 112.615 162.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.37 -41.19 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.017 -1.052 . . . . 0.0 110.283 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -36.03 60.3 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -171.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.04 -26.58 65.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.314 -0.866 . . . . 0.0 112.66 166.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 tp -74.73 -46.35 37.97 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 172.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.02 50.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.053 -1.029 . . . . 0.0 112.051 169.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -91.51 -27.89 17.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.296 -0.878 . . . . 0.0 110.26 168.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -67.03 -57.74 6.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.114 -0.991 . . . . 0.0 112.388 171.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.6 m -67.79 -38.42 83.33 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.157 -0.965 . . . . 0.0 112.905 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.02 149.45 46.59 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.193 -0.942 . . . . 0.0 112.678 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -109.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.116 -0.99 . . . . 0.0 110.036 159.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -71.9 -20.33 61.8 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.881 -1.137 . . . . 0.0 113.426 -154.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 m120 63.95 72.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.214 -0.929 . . . . 0.0 113.274 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 8.18 37.88 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.235 -0.916 . . . . 0.0 112.899 157.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.35 -6.54 55.85 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 120.532 -1.355 . . . . 0.0 115.383 162.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -157.29 141.65 16.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.05 -1.265 . . . . 0.0 113.851 -164.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.88 HG23 ' HB2' ' B' ' 62' ' ' GLU . 73.9 mt -108.53 126.41 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.141 -0.974 . . . . 0.0 110.191 -163.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -98.65 176.86 5.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.082 -1.011 . . . . 0.0 112.759 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.566 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 67.1 t80 -65.17 -33.76 76.77 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.993 -1.067 . . . . 0.0 112.029 -161.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.677 0 O-C-N 120.66 -1.275 . . . . 0.0 113.541 159.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.88 ' HB2' HG23 ' B' ' 58' ' ' ILE . 24.9 mt-10 -44.41 -20.46 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 6.2 t80 -63.4 -58.03 8.38 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.728 -1.858 . . . . 0.0 112.023 163.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.95 -23.05 51.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.23 -0.919 . . . . 0.0 111.705 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -92.17 -35.14 14.01 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.182 -0.949 . . . . 0.0 109.475 172.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.9 ttt -59.86 -12.71 8.13 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.409 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 3.8 mtt -87.6 -54.75 4.11 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.998 0.919 . . . . 0.0 110.562 154.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -156.336 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.255 3.0 mp0 . . . . . 0 N--CA 1.498 1.95 0 CA-C-O 121.218 0.532 . . . . 0.0 111.771 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.24 -62.19 1.79 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -160.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.52 -21.43 18.88 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.41 -25.45 62.34 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.241 1.017 . . . . 0.0 111.823 163.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -50.7 17.9 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -46.1 -46.65 17.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.216 -0.928 . . . . 0.0 113.309 161.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.13 61.45 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.815 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 67.7 t80 -70.01 -32.19 70.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.344 -0.848 . . . . 0.0 112.023 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -39.31 61.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.021 0.928 . . . . 0.0 112.99 168.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -56.65 -37.54 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.102 -0.999 . . . . 0.0 110.269 174.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 2.6 m-30 -62.78 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.259 -0.901 . . . . 0.0 110.385 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -48.86 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.207 -0.933 . . . . 0.0 112.85 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 22.32 0.81 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.147 -0.97 . . . . 0.0 109.755 -163.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -147.04 -33.4 0.29 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.314 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.03 55.51 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 154.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -72.81 -6.18 43.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.214 -0.929 . . . . 0.0 112.944 154.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.36 10.6 44.29 Favored Glycine 0 CA--C 1.572 3.62 0 O-C-N 120.682 -1.261 . . . . 0.0 115.356 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -113.98 165.62 12.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.093 -1.239 . . . . 0.0 111.614 175.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.62 161.23 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 C-N-CA 124.269 1.027 . . . . 0.0 110.222 161.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -135.37 166.64 22.69 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 112.723 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' B' ' 44' ' ' GLU . 0.8 OUTLIER -78.18 -27.12 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.288 -0.883 . . . . 0.0 110.278 -173.135 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.52 -36.19 78.53 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.087 -1.008 . . . . 0.0 113.695 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 30' ' ' ILE . 76.1 mt-10 -71.42 -23.86 61.93 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 175.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.934 HD23 HG23 ' B' ' 43' ' ' ILE . 8.2 tp -59.9 -34.35 73.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.165 -0.96 . . . . 0.0 111.923 -170.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.25 -27.59 36.2 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.095 -1.003 . . . . 0.0 115.074 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -79.78 -40.36 28.85 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.271 -1.134 . . . . 0.0 113.862 171.017 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.435 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -41.36 -63.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.01 -1.057 . . . . 0.0 110.11 159.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.5 pp -80.96 -12.92 59.3 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.724 -165.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.57 32.82 5.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.211 -0.931 . . . . 0.0 110.831 172.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 165.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.89 -34.48 78.05 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.18 -37.67 32.81 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.258 -0.901 . . . . 0.0 112.668 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.934 HG23 HD23 ' A' ' 27' ' ' LEU . 3.6 mm -58.84 -45.99 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.166 -0.959 . . . . 0.0 110.189 168.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.18 -37.8 86.5 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -175.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' B' ' 48' ' ' LYS . 1.2 m-20 -70.73 -34.86 72.34 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.872 0.869 . . . . 0.0 112.664 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.816 HD22 HD21 ' A' ' 27' ' ' LEU . 8.1 tt -56.67 -48.24 78.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.416 ' CE ' HG13 ' B' ' 58' ' ' ILE . 5.8 ttt -99.09 15.26 26.46 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.874 -1.142 . . . . 0.0 112.116 -171.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' B' ' 45' ' ' ASP . 0.0 OUTLIER -102.13 -34.43 9.29 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.982 0.913 . . . . 0.0 109.97 156.106 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.21 -40.58 86.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.639 -0.663 . . . . 0.0 112.489 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.71 -33.01 20.15 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 112.887 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -82.56 106.59 14.54 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.189 -0.945 . . . . 0.0 112.687 -157.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.64 26.6 8.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 155.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -81.22 18.75 1.03 Allowed 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 162.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m120 62.51 105.9 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 124.25 1.02 . . . . 0.0 113.022 -167.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -18.21 33.98 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.284 1.034 . . . . 0.0 112.767 -154.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -41.2 -57.53 3.05 Favored Glycine 0 CA--C 1.571 3.578 0 O-C-N 121.189 -0.944 . . . . 0.0 115.11 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -162.57 154.13 18.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.226 -1.161 . . . . 0.0 114.122 -167.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.867 HG23 ' HB2' ' B' ' 62' ' ' GLU . 14.7 mt -106.48 161.74 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 124.199 1.0 . . . . 0.0 110.249 -178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -137.8 -175.22 4.01 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.014 -1.054 . . . . 0.0 112.837 172.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.473 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -64.46 -30.68 71.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.774 -1.204 . . . . 0.0 112.066 -162.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -48.05 -84.09 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 125.016 2.341 . . . . 0.0 111.245 167.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.868 ' HA ' ' HG2' ' B' ' 65' ' ' LYS . 17.5 mm-40 -26.35 -35.49 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 113.818 -1.537 . . . . 0.0 113.845 167.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.815 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 55.1 t80 -59.29 -55.96 28.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.991 -1.068 . . . . 0.0 111.691 173.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.6 mt -50.44 -40.08 49.46 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.651 1.18 . . . . 0.0 111.8 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.868 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -84.26 -33.18 24.09 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.982 -1.074 . . . . 0.0 109.423 -170.354 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.3 ttp -81.85 -23.89 36.12 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptm -89.2 -28.74 19.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.253 -0.904 . . . . 0.0 110.585 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 179.242 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 1.9 mt-10 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 121.065 0.459 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -56.65 5.7 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -156.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.09 -50.07 72.05 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -37.54 49.42 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.216 -0.927 . . . . 0.0 111.691 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -60.27 2.33 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -41.9 -48.84 4.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.318 -0.864 . . . . 0.0 113.293 169.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.81 84.5 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.441 ' HE2' ' O ' ' A' ' 20' ' ' GLY . 74.0 t80 -71.58 -30.67 66.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.294 -0.879 . . . . 0.0 112.138 -175.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -77.11 -38.48 52.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 112.929 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.28 -27.03 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.281 -0.887 . . . . 0.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -76.7 -47.78 20.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.285 -0.885 . . . . 0.0 110.396 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -73.24 96.11 2.22 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.219 -0.925 . . . . 0.0 112.837 -165.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 26.07 4.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.192 -0.942 . . . . 0.0 109.528 -168.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -129.43 -37.86 1.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.94 41.03 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 154.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.48 -23.6 67.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.209 -0.932 . . . . 0.0 112.658 155.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' HE2' ' A' ' 11' ' ' PHE . . . 135.1 -40.18 1.59 Allowed Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.235 -0.916 . . . . 0.0 115.213 -166.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.37 162.63 31.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.351 -1.088 . . . . 0.0 111.788 -160.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -104.5 148.96 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.873 1.269 . . . . 0.0 110.215 -165.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -127.13 164.76 20.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.101 -0.999 . . . . 0.0 112.73 -177.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -23.1 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.297 -0.877 . . . . 0.0 110.299 -175.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.12 -36.92 55.14 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 171.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.698 ' O ' HD13 ' A' ' 30' ' ' ILE . 78.2 mt-10 -68.63 -25.28 64.77 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.612 ' C ' HD13 ' A' ' 27' ' ' LEU . 2.5 tm? -65.07 -58.6 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.216 -0.928 . . . . 0.0 111.833 -170.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.67 -37.21 33.65 Favored Glycine 0 CA--C 1.571 3.594 0 O-C-N 121.118 -0.988 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 10.3 mt-10 -79.55 -22.24 44.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.233 -1.157 . . . . 0.0 113.881 -177.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.53 -67.01 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -0.959 . . . . 0.0 110.23 155.385 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.571 HD21 HG12 ' B' ' 43' ' ' ILE . 3.7 pp -69.48 -20.01 63.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.099 -1.001 . . . . 0.0 111.75 -167.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -129.89 27.33 5.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.166 -0.959 . . . . 0.0 110.841 178.464 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.889 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 165.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -19.62 64.83 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 172.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -72.03 -43.76 64.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.243 -0.911 . . . . 0.0 112.686 166.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.571 HG12 HD21 ' A' ' 31' ' ' LEU . 2.0 mp -53.05 -55.52 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.043 -1.036 . . . . 0.0 110.124 169.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -36.27 83.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.076 -1.015 . . . . 0.0 113.723 -173.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.74 -36.58 84.35 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.292 -0.88 . . . . 0.0 112.683 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.84 -46.15 72.61 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.699 ' C ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -83.96 -18.74 36.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.053 -1.029 . . . . 0.0 112.1 -174.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.699 ' HE3' ' C ' ' B' ' 47' ' ' MET . 0.0 OUTLIER -84.69 -39.13 18.92 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 109.81 173.45 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.535 -0.728 . . . . 0.0 112.465 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 32.2 t -65.34 -58.35 6.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.25 -0.906 . . . . 0.0 112.884 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.18 154.06 13.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.24 -0.912 . . . . 0.0 112.648 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 -122.89 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.209 -0.932 . . . . 0.0 109.939 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -70.2 5.99 1.47 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.024 -1.048 . . . . 0.0 113.546 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 67.79 81.73 0.19 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.88 -1.137 . . . . 0.0 113.252 165.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.97 -38.78 22.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.211 -0.931 . . . . 0.0 112.652 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.85 7.9 0.7 Allowed Glycine 0 CA--C 1.571 3.57 0 O-C-N 121.211 -0.931 . . . . 0.0 115.366 159.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.4 167.07 22.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.209 -1.171 . . . . 0.0 114.046 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' B' ' 62' ' ' GLU . 73.4 mt -114.44 129.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.096 0.958 . . . . 0.0 110.29 160.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -120.96 175.78 5.89 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.309 -1.494 . . . . 0.0 112.794 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.09 -33.77 69.44 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.76 -1.213 . . . . 0.0 111.992 -155.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -78.24 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 O-C-N 120.779 -1.201 . . . . 0.0 113.702 161.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.653 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.9 mt-10 -35.64 -30.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.627 ' HD1' ' CE ' ' B' ' 66' ' ' MET . 22.1 t80 -62.44 -50.55 71.05 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.35 -1.469 . . . . 0.0 111.848 172.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.45 -23.83 67.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.294 -0.879 . . . . 0.0 111.809 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -87.35 -53.54 4.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.148 -0.97 . . . . 0.0 109.357 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.627 ' CE ' ' HD1' ' B' ' 63' ' ' PHE . 0.9 OUTLIER -41.05 -42.06 1.85 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 177.482 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 32.9 ttm -96.91 -52.47 3.86 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.29 -0.881 . . . . 0.0 110.611 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -165.537 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 26.9 mp0 . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 121.176 0.512 . . . . 0.0 111.791 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.76 -55.86 29.59 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -91.27 -21.78 20.9 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 2.5 mt -81.52 -22.09 38.16 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.075 0.95 . . . . 0.0 111.709 169.258 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.67 29.79 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 167.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -54.77 -38.14 66.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.262 -0.899 . . . . 0.0 113.268 158.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -75.33 -47.65 26.77 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.805 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 52.3 t80 -65.85 -34.93 79.27 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 123.698 0.799 . . . . 0.0 112.143 175.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -66.9 -48.34 69.01 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.296 1.038 . . . . 0.0 112.952 170.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -67.91 -32.14 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 C-N-CA 124.173 0.989 . . . . 0.0 110.288 -169.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.39 -62.97 1.39 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 165.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -47.65 144.43 3.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.099 -1.001 . . . . 0.0 112.822 -169.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -119.4 38.92 3.73 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.095 -1.003 . . . . 0.0 109.206 -173.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.13 -26.71 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 170.001 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.86 40.43 0.19 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 160.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -93.09 9.59 35.22 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.264 -0.897 . . . . 0.0 112.84 156.275 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 23.31 60.79 Favored Glycine 0 CA--C 1.572 3.619 0 O-C-N 120.928 -1.107 . . . . 0.0 115.067 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -114.14 168.87 9.45 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.185 -1.185 . . . . 0.0 111.702 169.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.655 HG23 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -131.94 116.32 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 C-N-CA 124.303 1.041 . . . . 0.0 110.213 174.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.06 162.27 13.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.921 -1.112 . . . . 0.0 112.72 -168.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 6.4 tt -51.98 -32.34 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.0 110.052 168.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.35 -19.62 56.03 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.655 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.82 -49.37 62.61 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 164.143 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tp -42.03 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.648 1.579 . . . . 0.0 112.099 -169.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.31 -39.73 7.42 Favored Glycine 0 CA--C 1.571 3.577 0 O-C-N 121.143 -0.973 . . . . 0.0 115.155 -162.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.86 -34.99 44.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.273 -1.134 . . . . 0.0 113.9 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mm -50.6 -72.66 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.172 159.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 32' ' ' ARG . 3.1 pp -55.33 -27.24 45.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 111.587 -167.369 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.1 tpm_? -86.29 -73.86 0.44 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.262 -0.899 . . . . 0.0 110.86 178.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.891 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -155.518 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -68.81 -45.03 72.28 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -56.63 -40.19 74.98 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.204 -0.935 . . . . 0.0 112.671 168.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.13 -61.6 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.228 -0.92 . . . . 0.0 110.179 176.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -29.72 70.77 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -172.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -73.31 -29.4 62.67 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.96 0.904 . . . . 0.0 112.703 172.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.547 HD13 ' C ' ' B' ' 46' ' ' LEU . 3.0 tm? -73.14 -47.68 41.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 173.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.463 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 15.3 tpt -64.28 -40.36 95.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.027 -1.046 . . . . 0.0 112.109 175.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -23.44 36.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.187 -173.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -67.09 -47.58 70.81 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.614 -1.304 . . . . 0.0 112.501 162.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.1 t -69.41 -35.17 75.49 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.097 -1.002 . . . . 0.0 112.718 -166.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . 0.412 ' HB3' ' ND2' ' B' ' 54' ' ' ASN . 15.8 t0 -74.51 160.78 30.47 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.171 -0.956 . . . . 0.0 112.68 -170.078 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -63.7 -135.79 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.177 -0.952 . . . . 0.0 109.812 162.845 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 6.06 1.42 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.69 -1.256 . . . . 0.0 113.493 -165.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' B' ' 51' ' ' ASP . 1.2 m120 70.93 58.19 0.2 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.849 -1.157 . . . . 0.0 113.265 165.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.14 -55.14 11.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 112.629 159.128 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.01 -24.44 0.25 Allowed Glycine 0 CA--C 1.571 3.587 0 O-C-N 121.216 -0.927 . . . . 0.0 115.135 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.72 157.78 20.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.288 -1.125 . . . . 0.0 113.874 -162.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.76 HG23 ' HB2' ' B' ' 62' ' ' GLU . 80.4 mt -108.52 146.75 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.205 -0.934 . . . . 0.0 110.228 176.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -109.25 -173.8 2.35 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.129 0.972 . . . . 0.0 112.785 174.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.554 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -71.05 -41.24 71.02 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.76 -1.213 . . . . 0.0 112.01 -170.429 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -79.49 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 O-C-N 120.575 -1.328 . . . . 0.0 113.514 162.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.76 ' HB2' HG23 ' B' ' 58' ' ' ILE . 12.9 mt-10 -37.4 -30.43 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.352 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.805 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 58.9 t80 -58.44 -54.96 41.17 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.212 -1.555 . . . . 0.0 111.921 170.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.7 mt -53.86 -34.49 59.53 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 124.031 0.932 . . . . 0.0 111.695 176.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -78.93 -54.21 6.28 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.216 -0.928 . . . . 0.0 109.296 178.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' B' ' 66' ' ' MET . 1.8 ttm -45.91 -20.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 172.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 47.8 ttm -93.35 -71.7 0.64 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.119 -0.988 . . . . 0.0 110.527 175.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -167.538 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.8 OUTLIER . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 121.147 0.499 . . . . 0.0 111.826 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.64 -19.76 62.64 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.75 -44.52 9.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -175.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.588 HD22 HD23 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -0.944 . . . . 0.0 111.703 163.239 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.92 -67.16 0.46 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -37.7 -55.02 1.18 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.98 0.912 . . . . 0.0 113.289 160.149 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -62.34 -42.24 99.22 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -178.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.577 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 65.7 t80 -70.36 -33.14 71.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.151 -0.968 . . . . 0.0 112.103 177.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -70.7 -38.28 73.66 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.117 -0.989 . . . . 0.0 112.902 171.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -82.21 -31.61 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.117 -0.99 . . . . 0.0 110.178 -166.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -57.94 -36.83 73.07 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 124.026 0.93 . . . . 0.0 110.471 168.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.71 156.33 37.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.137 -0.977 . . . . 0.0 112.761 -172.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -103.85 -66.65 0.94 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.176 -0.952 . . . . 0.0 109.301 162.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 8.0 p-10 -79.67 -40.49 28.95 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 -159.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.31 56.43 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 155.21 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -98.55 22.27 10.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.216 -0.927 . . . . 0.0 112.713 155.575 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.64 9.64 68.58 Favored Glycine 0 CA--C 1.573 3.667 0 O-C-N 121.174 -0.954 . . . . 0.0 115.05 169.065 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 156.98 27.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.331 -1.099 . . . . 0.0 111.679 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.05 139.61 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.227 161.603 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.25 171.06 8.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.175 -0.953 . . . . 0.0 112.713 -171.06 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 tt -72.36 -31.05 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.265 -0.897 . . . . 0.0 110.206 -174.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -31.85 68.85 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.547 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.54 -19.83 57.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 171.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' CD2' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -70.26 -71.98 0.22 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.257 -0.902 . . . . 0.0 111.865 -165.808 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.32 -26.65 0.21 Allowed Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.181 -0.949 . . . . 0.0 115.17 165.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.69 -46.02 20.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.262 -1.14 . . . . 0.0 113.862 -172.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mm -54.62 -57.64 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.229 161.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 27' ' ' LEU . 2.0 mt -81.7 6.07 16.43 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 121.023 -1.048 . . . . 0.0 111.493 -171.053 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.98 42.13 0.45 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.203 -0.935 . . . . 0.0 110.842 167.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.894 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -13.08 25.41 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -79.02 -43.97 23.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.236 -0.915 . . . . 0.0 112.648 175.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -59.77 -41.86 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.201 -0.937 . . . . 0.0 110.199 167.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.542 ' CD ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -74.89 -30.65 61.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.075 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.25 -28.86 64.46 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.944 0.897 . . . . 0.0 112.755 166.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tp -72.11 -42.89 65.55 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 173.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.411 ' CE ' HD11 ' B' ' 58' ' ' ILE . 7.5 tpt -92.08 12.05 23.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.156 -0.965 . . . . 0.0 112.107 171.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.542 ' HE3' ' CD ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -91.49 -43.1 9.89 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.28 -0.888 . . . . 0.0 109.907 159.803 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.46 -45.94 74.5 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.509 -0.744 . . . . 0.0 112.469 176.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.8 t -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.295 -0.878 . . . . 0.0 112.89 -177.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 161.57 19.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.259 -0.901 . . . . 0.0 112.656 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -117.6 -119.12 0.31 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.193 -0.942 . . . . 0.0 109.924 -178.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -79.03 20.28 0.49 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 161.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 76.29 41.54 0.21 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.894 1.278 . . . . 0.0 113.169 163.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.97 59.29 4.27 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.432 1.093 . . . . 0.0 112.527 153.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -45.65 -28.52 2.54 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.24 -0.912 . . . . 0.0 115.24 -161.04 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.68 126.1 26.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -1.171 . . . . 0.0 113.838 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.96 HG23 ' HB2' ' B' ' 62' ' ' GLU . 42.9 mt -105.1 148.02 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 124.118 0.967 . . . . 0.0 110.171 -161.387 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -116.99 -173.38 2.39 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.25 1.02 . . . . 0.0 112.839 171.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -58.08 -36.18 72.46 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.91 -1.119 . . . . 0.0 112.128 -171.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.28 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.898 2.285 . . . . 0.0 111.381 173.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.96 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.3 mm-40 -23.96 -38.48 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 125.617 1.567 . . . . 0.0 113.768 166.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.577 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 50.4 t80 -61.78 -54.01 48.12 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.337 -0.852 . . . . 0.0 112.063 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.588 HD23 HD22 ' A' ' 7' ' ' LEU . 42.8 mt -55.78 -31.97 63.07 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.095 0.958 . . . . 0.0 111.874 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -85.08 -45.98 11.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.057 -1.027 . . . . 0.0 109.385 178.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -56.92 -29.91 63.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.6 ttp -87.18 -71.75 0.55 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.177 -0.952 . . . . 0.0 110.597 165.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.882 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -162.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 24.5 tt0 . . . . . 0 N--CA 1.498 1.938 0 CA-C-O 121.165 0.507 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.4 tt0 -45.73 -62.97 1.08 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -170.084 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.64 -13.81 44.49 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -164.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' B' ' 67' ' ' MET . 0.1 OUTLIER -77.75 -28.21 50.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 111.721 162.454 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -66.89 -61.19 2.07 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -43.39 -46.4 6.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.238 165.214 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -60.55 -36.15 77.77 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 13.1 t80 -71.33 -32.87 69.1 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.204 -0.935 . . . . 0.0 112.121 -176.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.06 -33.46 38.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.172 -0.955 . . . . 0.0 112.924 169.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -68.51 -33.86 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.165 0.986 . . . . 0.0 110.249 -175.255 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.759 ' HE2' HG21 ' A' ' 30' ' ' ILE . 23.5 m-85 -56.59 -53.05 62.12 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 159.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -71.02 142.04 50.93 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.14 -0.975 . . . . 0.0 112.753 -161.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.93 -57.08 10.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.089 -1.007 . . . . 0.0 109.161 -173.718 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -131.91 7.21 4.35 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -163.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.44 52.96 2.23 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 157.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -86.74 -8.54 57.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.237 -0.914 . . . . 0.0 112.748 164.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.68 -19.33 7.5 Favored Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.118 -0.989 . . . . 0.0 115.244 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -112.43 161.35 16.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.253 -1.146 . . . . 0.0 111.738 -163.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.702 HG23 ' CG ' ' A' ' 26' ' ' GLU . 92.5 mt -120.13 131.43 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.149 -0.97 . . . . 0.0 110.275 165.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -110.09 176.39 5.07 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 112.767 -166.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -27.6 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.144 -0.972 . . . . 0.0 110.255 171.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -70.22 -37.16 74.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.942 -1.099 . . . . 0.0 113.716 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.702 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -74.17 -49.78 22.11 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.682 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.411 HD22 HG23 ' B' ' 43' ' ' ILE . 8.1 tt -46.86 -58.09 4.27 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 125.333 1.453 . . . . 0.0 111.952 -170.295 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.95 -35.54 32.52 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.108 -0.995 . . . . 0.0 115.072 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -80.56 -28.42 37.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.263 -1.14 . . . . 0.0 113.877 177.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.759 HG21 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -54.83 -63.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.27 -0.894 . . . . 0.0 110.196 165.055 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 HD11 ' B' ' 43' ' ' ILE . 1.7 mt -53.75 -43.41 69.11 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 121.082 -1.012 . . . . 0.0 111.296 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -85.18 -57.9 2.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.443 -0.786 . . . . 0.0 110.836 -171.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.969 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 -159.824 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -66.34 -38.0 86.62 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.15 -43.07 75.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.168 -0.958 . . . . 0.0 112.62 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.518 HD11 HD12 ' A' ' 31' ' ' LEU . 1.7 mp -63.18 -52.3 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.173 -0.954 . . . . 0.0 110.24 172.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -40.42 96.19 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -63.92 -44.19 93.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.33 -0.856 . . . . 0.0 112.683 174.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.68 ' O ' HD22 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -71.64 -49.32 41.1 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -176.732 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.9 tpt -65.38 -43.87 89.35 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.943 -1.098 . . . . 0.0 112.078 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.23 -19.8 29.43 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.324 -0.86 . . . . 0.0 110.313 -169.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.9 -53.51 31.37 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.509 -1.37 . . . . 0.0 112.45 159.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -64.66 -16.73 63.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.271 -0.893 . . . . 0.0 112.881 -178.191 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.51 149.67 42.11 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.13 -0.981 . . . . 0.0 112.612 -174.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -142.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.134 -0.979 . . . . 0.0 110.081 156.452 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -74.78 13.21 0.67 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.977 -1.077 . . . . 0.0 113.468 -162.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 75.48 35.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.02 -1.05 . . . . 0.0 113.215 159.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.5 54.33 1.89 Allowed 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.25 1.02 . . . . 0.0 112.616 154.454 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.85 74.84 0.28 Allowed Glycine 0 CA--C 1.572 3.634 0 O-C-N 121.171 -0.956 . . . . 0.0 115.106 -162.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -42.12 154.58 0.05 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.29 -1.124 . . . . 0.0 113.879 165.306 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.978 HG23 ' HB2' ' B' ' 62' ' ' GLU . 23.1 mt -94.95 145.04 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.464 1.106 . . . . 0.0 110.234 -161.22 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.52 -174.57 2.59 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.13 0.972 . . . . 0.0 112.829 173.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.62 -35.15 78.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.86 -1.15 . . . . 0.0 111.925 -169.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -83.98 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 125.031 2.348 . . . . 0.0 111.363 168.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.978 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.5 mm-40 -25.74 -35.63 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 CA-C-N 113.847 -1.524 . . . . 0.0 113.865 166.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.593 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 1.9 t80 -62.72 -55.23 28.55 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.032 -1.042 . . . . 0.0 112.015 173.569 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.5 -38.27 71.55 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 123.906 0.882 . . . . 0.0 111.824 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -24.06 34.4 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.079 -1.013 . . . . 0.0 109.369 -176.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.8 ttp -71.13 -43.84 66.8 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 177.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.506 ' HE1' HD13 ' A' ' 7' ' ' LEU . 7.0 ptt? -113.09 15.06 19.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.035 -1.041 . . . . 0.0 110.653 -176.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 N--CA 1.497 1.909 0 C-N-CA 124.761 1.225 . . . . 0.0 113.924 157.642 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.907 0 CA-C-O 120.943 0.401 . . . . 0.0 112.062 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.59 -65.53 0.67 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.7 -51.39 68.99 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -54.08 49.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.26 -0.9 . . . . 0.0 111.747 -177.186 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' B' ' 60' ' ' PHE . . . -71.67 -39.32 70.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -175.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -42.7 -50.49 5.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.278 -0.889 . . . . 0.0 113.241 157.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.82 61.41 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.449 ' HB2' ' CE2' ' B' ' 63' ' ' PHE . 80.7 t80 -76.46 -34.07 58.72 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.271 -0.893 . . . . 0.0 112.143 -178.265 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -70.62 -38.08 73.88 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.248 -0.908 . . . . 0.0 112.914 165.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mm -72.07 -31.56 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -174.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -65.77 -49.73 67.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.333 -0.854 . . . . 0.0 110.479 163.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.77 136.93 56.87 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.164 -0.96 . . . . 0.0 112.746 -162.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -115.74 -36.32 4.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.108 -0.995 . . . . 0.0 109.228 -162.696 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -95.73 -29.28 14.36 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.09 52.24 0.2 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 168.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.63 -2.48 41.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.295 -0.878 . . . . 0.0 112.703 156.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.64 -18.69 46.81 Favored Glycine 0 CA--C 1.571 3.568 0 O-C-N 121.196 -0.94 . . . . 0.0 115.352 -172.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -113.28 157.37 21.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.259 . . . . 0.0 111.815 -166.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 mt -103.72 132.49 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.122 -0.986 . . . . 0.0 110.259 169.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -108.82 169.36 8.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.121 -0.987 . . . . 0.0 112.711 -173.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -28.73 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.397 -0.814 . . . . 0.0 110.151 177.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -36.63 64.01 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 59.1 mt-10 -71.12 -29.34 65.13 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.475 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.596 ' CD1' HD11 ' A' ' 31' ' ' LEU . 2.9 tm? -69.54 -63.15 1.13 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 111.832 -166.381 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -25.89 -84.45 0.01 OUTLIER Glycine 0 CA--C 1.572 3.619 0 O-C-N 121.201 -0.937 . . . . 0.0 115.223 160.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.518 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 5.5 pt-20 -60.28 -20.71 60.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -1.197 . . . . 0.0 113.912 -167.555 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -58.72 -62.02 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.203 -0.936 . . . . 0.0 110.209 163.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD11 ' CD1' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -54.82 -66.41 0.41 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.08 . . . . 0.0 111.179 170.241 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.61 -50.98 64.5 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.227 -0.92 . . . . 0.0 110.881 -166.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.939 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -158.555 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.04 -39.78 78.97 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.7 -33.35 68.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.197 -0.94 . . . . 0.0 112.678 178.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.11 -49.34 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.127 -0.983 . . . . 0.0 110.165 164.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -36.45 81.7 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.06 -41.28 97.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.331 -0.855 . . . . 0.0 112.668 171.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.01 -55.45 32.69 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 170.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.7 tpt -82.32 -6.82 59.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.602 -1.311 . . . . 0.0 112.112 -167.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -87.53 -43.29 12.13 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.896 . . . . 0.0 109.815 165.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.5 -26.8 66.53 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.566 -0.709 . . . . 0.0 112.427 -177.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -86.06 -40.49 15.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.273 -0.892 . . . . 0.0 112.825 173.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -77.33 67.95 3.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.329 -0.857 . . . . 0.0 112.672 -169.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -69.44 -34.94 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.22 -0.925 . . . . 0.0 109.974 -165.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -65.1 -21.98 66.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.309 -0.869 . . . . 0.0 113.264 -176.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 54.58 81.32 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.219 -0.926 . . . . 0.0 113.255 -176.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.71 -20.28 2.03 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.565 1.146 . . . . 0.0 112.74 165.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.11 59.08 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.011 -1.056 . . . . 0.0 115.09 169.016 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -162.31 151.25 15.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.199 -1.177 . . . . 0.0 113.959 171.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.979 HG23 ' HB2' ' B' ' 62' ' ' GLU . 70.8 mt -110.36 135.44 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.208 -0.932 . . . . 0.0 110.317 -162.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -120.5 173.07 7.39 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.296 1.038 . . . . 0.0 112.818 169.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.501 ' HE2' ' HB2' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.32 -34.32 66.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.825 -1.172 . . . . 0.0 112.067 -156.15 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -78.13 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.656 0 O-C-N 120.372 -1.455 . . . . 0.0 113.411 161.193 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.979 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.0 mt-10 -40.98 -31.01 0.15 Allowed 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 172.291 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 3.9 t80 -58.54 -53.32 59.71 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 119.89 -1.757 . . . . 0.0 112.045 170.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.4 mt -54.98 -26.04 33.95 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.19 0.996 . . . . 0.0 111.724 -177.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -43.37 10.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.244 -0.91 . . . . 0.0 109.464 174.754 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.01 -57.04 3.57 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 171.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' B' ' 68' ' ' GLU . 6.0 ttm -64.15 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.082 0.953 . . . . 0.0 110.599 166.452 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' B' ' 67' ' ' MET . 5.9 mt-10 . . . . . 0 CA--C 1.574 1.873 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -163.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.0 pt-20 . . . . . 0 N--CA 1.498 1.96 0 CA-C-O 121.263 0.554 . . . . 0.0 111.875 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -64.71 -23.7 67.33 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -69.31 -62.56 1.33 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 171.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.912 HD22 HD23 ' B' ' 64' ' ' LEU . 5.8 mp -55.52 -21.37 16.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.086 -1.009 . . . . 0.0 111.707 167.359 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -59.05 -68.49 0.27 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.126 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -50.62 -44.04 57.1 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.246 -0.909 . . . . 0.0 113.307 169.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -60.89 -43.07 98.99 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.588 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 84.9 t80 -69.01 -27.65 65.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.348 -0.845 . . . . 0.0 111.93 177.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -68.34 -36.67 79.6 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.914 0.886 . . . . 0.0 113.058 163.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.86 -38.8 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 124.3 1.04 . . . . 0.0 110.288 -176.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.695 ' CE2' HG21 ' A' ' 30' ' ' ILE . 11.1 m-85 -58.48 -52.09 67.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.307 -0.871 . . . . 0.0 110.378 175.186 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.72 146.38 33.95 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.222 -0.924 . . . . 0.0 112.822 -170.654 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HG2' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.6 -37.32 87.17 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.11 -0.994 . . . . 0.0 109.178 -170.509 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 4.1 m-80 -140.47 -33.04 0.57 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -158.874 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.73 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 156.195 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.4 -23.08 64.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.258 -0.901 . . . . 0.0 112.681 156.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.549 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 130.37 20.39 1.27 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.258 -0.901 . . . . 0.0 115.301 155.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.577 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -124.05 168.8 12.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.301 -1.117 . . . . 0.0 111.591 177.072 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 mt -110.81 162.64 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.043 -1.036 . . . . 0.0 110.243 165.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.53 158.36 27.47 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.13 -0.981 . . . . 0.0 112.623 164.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.861 HD12 HD13 ' A' ' 27' ' ' LEU . 1.8 tp -59.61 -31.38 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.418 -0.802 . . . . 0.0 110.186 174.141 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.11 -28.32 68.72 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 177.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.597 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 89.0 mt-10 -75.78 -24.61 56.01 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 166.025 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.861 HD13 HD12 ' A' ' 24' ' ' ILE . 8.9 tt -69.42 -52.75 23.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.225 -0.922 . . . . 0.0 111.833 -159.214 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.39 -30.83 78.75 Favored Glycine 0 CA--C 1.571 3.559 0 O-C-N 121.171 -0.955 . . . . 0.0 115.163 176.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.2 tt0 -75.38 -35.63 61.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.161 . . . . 0.0 113.86 176.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.695 HG21 ' CE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -55.96 -65.89 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.208 163.84 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.38 -24.32 67.2 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.128 -0.982 . . . . 0.0 111.709 -164.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 -16.31 12.91 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.115 -0.991 . . . . 0.0 110.873 -168.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.2 -41.53 98.45 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 173.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.13 -35.62 80.12 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.233 -0.917 . . . . 0.0 112.64 175.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.25 -35.32 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.217 -0.927 . . . . 0.0 110.227 169.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.81 -34.16 71.45 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.58 -42.33 91.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.282 -0.886 . . . . 0.0 112.662 166.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.2 tp -51.55 -46.77 63.49 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 168.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.9 tpt -70.25 -42.9 71.59 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.095 -176.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -85.82 -18.39 33.02 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 -172.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.02 -58.36 5.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.499 -1.376 . . . . 0.0 112.466 157.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.0 m -55.66 -32.6 63.35 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.143 -0.973 . . . . 0.0 112.709 -174.162 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -76.97 104.6 7.55 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.253 -0.904 . . . . 0.0 112.675 -168.234 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -55.2 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.225 -0.922 . . . . 0.0 109.917 -177.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -65.7 -2.57 3.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.267 -0.896 . . . . 0.0 113.41 -167.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 58.79 84.3 0.11 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.103 -0.998 . . . . 0.0 113.251 170.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.5 -17.39 1.0 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.242 -0.911 . . . . 0.0 112.746 172.435 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.74 8.82 56.9 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 120.858 -1.151 . . . . 0.0 115.115 165.254 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -147.43 151.74 36.96 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.224 -1.162 . . . . 0.0 113.838 167.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.788 HG23 ' HB2' ' B' ' 62' ' ' GLU . 65.4 mt -105.86 151.97 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.133 -0.979 . . . . 0.0 110.202 -156.735 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -118.23 -167.46 1.36 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.088 -1.008 . . . . 0.0 112.717 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.33 -39.0 93.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.034 -1.041 . . . . 0.0 112.091 -176.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.55 -84.72 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.827 2.251 . . . . 0.0 111.324 171.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.788 ' HB2' HG23 ' B' ' 58' ' ' ILE . 30.9 mt-10 -27.21 -35.28 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.905 -1.498 . . . . 0.0 113.868 167.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.588 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -61.17 -55.95 26.36 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.977 -1.077 . . . . 0.0 111.846 174.455 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.912 HD23 HD22 ' A' ' 7' ' ' LEU . 19.6 mt -51.01 -42.17 60.25 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.689 1.196 . . . . 0.0 111.888 175.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -98.92 -9.56 23.97 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.995 -1.066 . . . . 0.0 109.646 -164.118 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -90.42 -40.17 12.2 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 166.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -53.88 14.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.198 -0.938 . . . . 0.0 110.615 162.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 162.348 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.914 0 CA-C-O 121.203 0.525 . . . . 0.0 111.859 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.08 -23.48 62.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -177.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -102.68 -28.36 12.17 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.045 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.426 HD22 HD23 ' B' ' 64' ' ' LEU . 5.7 mp -74.47 -25.91 59.69 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.046 0.938 . . . . 0.0 111.753 161.352 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HA ' ' HE1' ' B' ' 60' ' ' PHE . . . -68.2 -54.9 14.55 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.229 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.84 -31.7 69.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.253 -0.904 . . . . 0.0 113.182 170.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.09 86.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 166.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HD1' ' CG ' ' B' ' 63' ' ' PHE . 64.4 t80 -78.38 -30.11 47.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.37 -0.831 . . . . 0.0 112.214 -178.365 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -56.97 12.11 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.306 1.042 . . . . 0.0 112.922 163.603 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.43 -28.39 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.2 -0.938 . . . . 0.0 110.269 -170.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -72.83 -38.16 67.22 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.917 0.887 . . . . 0.0 110.414 174.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.6 122.59 20.79 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.263 -0.898 . . . . 0.0 112.798 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HD3' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -91.07 13.57 16.47 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.016 -1.052 . . . . 0.0 109.879 -162.754 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 1.9 p30 -170.46 -25.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.383 -1.448 . . . . 0.0 114.651 -154.445 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.57 55.31 2.8 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 161.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.69 -20.1 21.94 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.226 -0.922 . . . . 0.0 112.746 154.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.41 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 126.05 2.51 7.15 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.111 -0.993 . . . . 0.0 115.151 171.47 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 5.5 m-30 -120.08 170.43 9.3 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.215 -1.168 . . . . 0.0 111.662 -175.348 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.812 HG23 ' CG ' ' A' ' 26' ' ' GLU . 62.9 mt -127.49 121.14 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 C-N-CA 124.195 0.998 . . . . 0.0 110.199 175.548 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' B' ' 57' ' ' ARG . 25.4 p30 -98.99 161.75 13.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.964 -1.085 . . . . 0.0 112.849 -174.153 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -9.06 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.291 -0.881 . . . . 0.0 110.527 175.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -80.79 -40.15 25.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.469 -1.394 . . . . 0.0 113.746 170.714 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.812 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.82 -50.82 65.21 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.311 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.755 HD11 HG12 ' B' ' 43' ' ' ILE . 2.1 tm? -44.21 -73.22 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.337 1.455 . . . . 0.0 111.966 -171.024 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.547 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -48.72 -42.51 28.45 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.174 -0.954 . . . . 0.0 115.1 -177.323 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.74 -36.46 78.42 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.224 -1.162 . . . . 0.0 113.903 178.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.552 HG22 HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -58.46 -61.61 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.115 -0.99 . . . . 0.0 110.209 162.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 ' CD2' ' A' ' 27' ' ' LEU . 3.6 mt -79.62 25.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 121.01 -1.056 . . . . 0.0 111.45 -178.173 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 tpt85 -155.76 -64.26 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.333 -0.855 . . . . 0.0 110.831 163.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -159.946 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.81 -33.11 72.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -178.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.55 -47.21 86.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.226 -0.921 . . . . 0.0 112.705 168.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.755 HG12 HD11 ' A' ' 27' ' ' LEU . 8.7 mt -63.73 -51.72 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.234 -0.916 . . . . 0.0 110.272 -174.457 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -33.98 77.19 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.45 -46.67 89.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.264 -0.898 . . . . 0.0 112.622 165.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.81 -44.74 61.11 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -175.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 6.6 ttt -87.8 11.11 16.32 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.054 -1.029 . . . . 0.0 112.083 176.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.7 -34.96 11.17 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 123.902 0.881 . . . . 0.0 109.869 156.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -67.49 -58.99 3.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 112.468 175.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 -16.18 58.59 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.187 -0.946 . . . . 0.0 112.907 -176.423 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -65.09 134.59 54.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.176 -0.952 . . . . 0.0 112.68 165.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -99.09 0.25 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.263 -0.898 . . . . 0.0 110.015 -176.738 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.17 12.42 2.87 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -170.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.17 48.37 10.55 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.98 0.912 . . . . 0.0 113.293 -164.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -106.13 54.67 0.68 Allowed 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 124.798 1.239 . . . . 0.0 112.435 153.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.74 27.1 0.92 Allowed Glycine 0 CA--C 1.57 3.497 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -159.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -88.04 122.97 32.26 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.904 -1.351 . . . . 0.0 113.808 161.786 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.882 HG23 ' HB2' ' B' ' 62' ' ' GLU . 40.3 mt -101.95 149.13 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.032 -1.042 . . . . 0.0 110.122 -156.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -119.27 -174.72 2.78 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.07 -1.019 . . . . 0.0 112.829 171.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.458 ' HE1' ' HA ' ' A' ' 8' ' ' ALA . 42.0 t80 -62.3 -32.15 72.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.947 -1.095 . . . . 0.0 112.014 -166.102 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.72 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.151 0 CA-C-O 124.652 2.168 . . . . 0.0 111.516 172.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.882 ' HB2' HG23 ' B' ' 58' ' ' ILE . 35.3 mt-10 -24.44 -41.71 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.734 0 CA-C-N 113.825 -1.534 . . . . 0.0 113.614 166.418 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.625 ' CG ' ' HD1' ' A' ' 11' ' ' PHE . 58.2 t80 -60.41 -48.86 79.92 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.437 -0.79 . . . . 0.0 111.719 179.133 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 7' ' ' LEU . 27.6 mt -60.35 -29.87 69.18 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 124.823 1.249 . . . . 0.0 111.86 173.527 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -45.37 9.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -163.614 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.822 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.72 2.81 31.93 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 167.57 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -73.49 0.24 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.029 -1.045 . . . . 0.0 110.514 156.221 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -167.347 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.93 0 CA-C-O 121.716 0.769 . . . . 0.0 111.825 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 8.3 tt0 -49.57 -26.88 3.88 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -164.128 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.88 -54.59 5.67 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -178.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.905 HD12 HD23 ' B' ' 64' ' ' LEU . 1.2 mt -58.23 -15.51 10.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.208 -0.933 . . . . 0.0 111.768 164.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -70.86 -65.32 0.75 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 166.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -40.66 -51.92 2.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.247 -0.908 . . . . 0.0 113.232 163.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.43 84.09 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 -176.405 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.499 ' HD1' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -68.8 -42.56 77.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.214 -0.929 . . . . 0.0 112.066 179.086 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -53.03 -41.07 64.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.132 -0.98 . . . . 0.0 112.924 167.013 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.62 -33.33 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.504 1.122 . . . . 0.0 110.204 -171.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -56.58 -41.33 76.76 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.373 -0.829 . . . . 0.0 110.43 170.548 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.86 168.57 19.18 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.179 -0.95 . . . . 0.0 112.794 -159.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.695 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -101.08 -79.1 0.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 161.598 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.695 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 19.9 t30 -86.8 -36.38 18.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -162.627 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.75 58.58 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 155.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.4 17.14 4.67 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.26 -0.9 . . . . 0.0 112.68 160.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.15 -1.67 54.64 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.097 -1.002 . . . . 0.0 115.439 173.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.24 163.97 14.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.235 -1.156 . . . . 0.0 111.801 -168.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' HD2' ' B' ' 63' ' ' PHE . 23.8 mt -122.47 138.88 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.273 1.029 . . . . 0.0 110.215 164.47 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -118.12 168.28 10.71 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.967 -1.083 . . . . 0.0 112.753 -166.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' SD ' ' B' ' 47' ' ' MET . 2.3 tp -60.57 -37.16 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.112 -0.993 . . . . 0.0 110.217 -173.365 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.18 -21.27 56.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.56 -23.06 53.56 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 164.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HG ' HD11 ' A' ' 31' ' ' LEU . 1.3 tt -74.58 -72.91 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.202 -0.937 . . . . 0.0 111.843 -161.276 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.71 60.14 Favored Glycine 0 CA--C 1.572 3.594 0 O-C-N 121.171 -0.955 . . . . 0.0 115.122 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -52.3 -59.74 4.04 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -1.171 . . . . 0.0 113.895 162.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -48.14 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.103 -0.998 . . . . 0.0 110.168 171.372 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.605 HD11 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -73.16 13.14 0.45 Allowed 'General case' 0 CA--C 1.574 1.87 0 O-C-N 121.199 -0.938 . . . . 0.0 111.467 -167.266 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -108.84 -43.52 4.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.308 -0.87 . . . . 0.0 110.851 162.062 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -172.15 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.497 1.886 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -20.45 66.05 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 164.164 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -80.06 -37.74 33.29 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.231 -0.918 . . . . 0.0 112.663 169.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.54 -38.22 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.146 -0.971 . . . . 0.0 110.12 163.385 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -35.09 78.27 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 172.01 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.07 -42.29 99.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 171.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . 0.471 HD22 ' O ' ' B' ' 46' ' ' LEU . 0.7 OUTLIER -61.39 -53.83 51.49 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 173.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.597 ' SD ' HD12 ' A' ' 24' ' ' ILE . 2.8 tpt -76.7 -28.81 56.01 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.755 -1.215 . . . . 0.0 111.993 -166.048 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -20.58 17.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.264 -0.897 . . . . 0.0 110.292 -176.205 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.05 -50.38 62.1 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.602 -1.311 . . . . 0.0 112.445 157.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -75.32 -32.32 60.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.187 -0.946 . . . . 0.0 112.873 -170.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.65 98.71 4.12 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.206 -0.933 . . . . 0.0 112.681 -173.032 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.92 -75.38 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.067 -174.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.53 -12.86 59.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.14 -0.975 . . . . 0.0 113.333 -164.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.1 m120 62.59 66.61 0.76 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.097 -1.002 . . . . 0.0 113.272 163.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -51.81 2.84 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.036 1.334 . . . . 0.0 112.625 159.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 176.9 -26.92 0.06 OUTLIER Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.246 -0.909 . . . . 0.0 115.042 174.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -115.77 171.05 8.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.263 -1.14 . . . . 0.0 113.907 -157.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.968 HG23 ' HB2' ' B' ' 62' ' ' GLU . 39.0 mt -103.34 151.9 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 124.338 1.055 . . . . 0.0 110.206 166.72 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -125.2 -153.48 0.57 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.314 1.045 . . . . 0.0 112.731 160.04 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.472 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -79.67 -40.51 28.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.857 -1.152 . . . . 0.0 112.156 -162.68 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.04 -75.27 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 113.853 164.178 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.968 ' HB2' HG23 ' B' ' 58' ' ' ILE . 3.2 mt-10 -33.18 -49.99 0.28 Allowed 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 165.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.462 ' HD2' HD12 ' A' ' 22' ' ' ILE . 9.4 t80 -53.25 -35.72 60.31 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.22 -0.925 . . . . 0.0 111.863 -177.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.905 HD23 HD12 ' A' ' 7' ' ' LEU . 23.2 mt -71.12 -33.09 69.8 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.022 0.929 . . . . 0.0 111.781 -179.407 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 -38.15 21.08 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.256 -0.903 . . . . 0.0 109.358 179.304 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.9 ttp -55.95 -59.6 4.66 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -46.58 -65.36 0.57 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.248 -0.908 . . . . 0.0 110.521 168.275 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -159.715 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.92 0 CA-C-O 121.185 0.517 . . . . 0.0 111.893 . . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.786 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -61.66 -54.64 40.12 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -159.307 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -63.08 -57.33 10.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -22.93 27.36 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.268 -0.895 . . . . 0.0 111.731 169.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -62.42 -66.56 0.52 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 169.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -35.03 -58.91 0.52 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 123.942 0.897 . . . . 0.0 113.254 160.221 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.34 80.28 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -174.473 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.679 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 66.8 t80 -76.99 -32.23 57.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -0.893 . . . . 0.0 112.247 -178.644 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.51 -56.32 21.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.152 -0.968 . . . . 0.0 112.902 160.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mm -65.15 -33.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.053 0.941 . . . . 0.0 110.266 -166.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -54.96 -67.58 0.26 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.23 -0.919 . . . . 0.0 110.39 165.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -55.5 128.72 35.8 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.141 0.976 . . . . 0.0 112.854 -164.371 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -65.82 -68.63 0.35 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 175.502 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 34.5 t-20 -85.1 -30.6 23.91 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -161.687 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.22 48.2 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 159.624 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -76.69 -11.68 59.88 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.266 -0.896 . . . . 0.0 112.696 159.218 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.02 55.63 Favored Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.052 -1.03 . . . . 0.0 115.227 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -117.04 159.08 23.08 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.236 -1.155 . . . . 0.0 111.693 176.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.5 mt -117.63 151.28 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.195 0.998 . . . . 0.0 110.213 172.094 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -127.45 173.2 10.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.06 -1.025 . . . . 0.0 112.74 -162.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -39.48 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.58 -25.37 59.23 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -177.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -77.08 -29.56 55.03 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 169.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.98 -67.3 0.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.194 -0.941 . . . . 0.0 111.879 -172.514 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.6 -38.0 5.26 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.159 178.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -80.15 -35.35 36.73 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.24 -1.153 . . . . 0.0 113.86 -177.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -56.14 -57.94 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.28 -0.888 . . . . 0.0 110.228 166.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.536 HD21 HG13 ' B' ' 43' ' ' ILE . 4.6 pp -64.29 -16.19 61.67 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.052 -1.03 . . . . 0.0 111.732 178.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -97.39 -20.77 17.59 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.166 -0.959 . . . . 0.0 111.007 174.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.682 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -64.46 -29.53 70.57 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 174.136 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.86 -38.58 88.8 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.212 -0.93 . . . . 0.0 112.636 168.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.536 HG13 HD21 ' A' ' 31' ' ' LEU . 1.6 mp -66.2 -42.64 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.218 -0.926 . . . . 0.0 110.281 172.606 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.49 77.87 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.343 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -74.17 -34.29 63.76 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.04 0.936 . . . . 0.0 112.698 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.42 -45.63 84.42 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 160.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.5 ttt -80.37 7.84 8.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.155 -0.966 . . . . 0.0 112.139 -175.301 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -34.45 5.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.318 -0.864 . . . . 0.0 109.961 161.597 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -67.37 -34.19 76.77 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 0.0 112.454 173.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -86.97 -40.22 14.98 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.247 -0.908 . . . . 0.0 112.897 170.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -74.45 119.11 18.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.247 -0.908 . . . . 0.0 112.641 179.004 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -62.51 1.36 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.082 -1.012 . . . . 0.0 110.061 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 -30.06 70.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.324 -0.86 . . . . 0.0 113.258 -179.099 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 56.22 43.76 26.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.17 -0.956 . . . . 0.0 113.242 167.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -32.56 36.03 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.166 -0.959 . . . . 0.0 112.722 158.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.09 -11.54 0.19 Allowed Glycine 0 CA--C 1.571 3.586 0 O-C-N 121.107 -0.996 . . . . 0.0 115.234 161.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -151.32 162.73 40.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.244 -1.151 . . . . 0.0 113.853 -156.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.952 HG23 ' HB2' ' B' ' 62' ' ' GLU . 77.5 mt -109.58 150.21 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.209 -0.932 . . . . 0.0 110.225 -159.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -122.3 -165.88 1.34 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.063 -1.023 . . . . 0.0 112.739 166.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 112.048 -164.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.719 -1.238 . . . . 0.0 113.613 163.769 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.952 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.0 OUTLIER -34.42 -35.69 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.065 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 8.3 t80 -59.4 -49.18 78.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.559 -1.338 . . . . 0.0 111.927 174.813 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.28 -28.5 69.37 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.283 -0.886 . . . . 0.0 111.744 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -53.5 16.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.035 -1.041 . . . . 0.0 109.332 167.77 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.488 ' HE3' ' HD1' ' B' ' 63' ' ' PHE . 6.1 tmm? -61.1 -34.12 74.44 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -172.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -73.3 0.12 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.301 -0.874 . . . . 0.0 110.57 161.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -161.953 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.948 ' HG3' ' CD2' ' B' ' 64' ' ' LEU 0.26 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 CA-C-O 121.723 0.773 . . . . 0.0 111.746 . . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -73.64 -59.54 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -171.376 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.04 -18.01 59.22 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -28.25 30.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.209 -0.932 . . . . 0.0 111.703 168.221 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -65.02 -66.96 0.48 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 169.039 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -33.06 -55.03 0.39 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.919 0.887 . . . . 0.0 113.232 161.347 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -31.49 65.91 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -173.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -76.24 -30.26 57.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.272 -0.892 . . . . 0.0 112.141 177.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -26.25 57.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.252 -0.905 . . . . 0.0 112.969 167.124 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -74.08 -34.5 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.213 176.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -71.22 -33.63 70.06 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 123.997 0.919 . . . . 0.0 110.412 177.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.17 106.46 11.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.95 . . . . 0.0 112.867 -161.69 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.25 -51.2 7.67 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.134 -0.978 . . . . 0.0 109.413 -162.029 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.7 m120 -101.27 -30.01 11.75 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.222 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 84.12 43.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 154.128 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.64 -17.29 62.76 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.94 -1.1 . . . . 0.0 112.364 153.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.62 -41.63 1.5 Allowed Glycine 0 CA--C 1.573 3.686 0 O-C-N 121.454 -0.779 . . . . 0.0 115.001 178.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -128.56 163.4 25.09 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.461 -1.023 . . . . 0.0 111.74 -162.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -99.5 154.26 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 124.135 0.974 . . . . 0.0 110.281 -162.247 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.64 173.66 10.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.139 -0.976 . . . . 0.0 112.736 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -28.43 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.904 . . . . 0.0 110.272 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.28 -37.31 85.15 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.104 -0.998 . . . . 0.0 113.692 170.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -74.88 -40.43 60.95 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.879 HD12 HG23 ' B' ' 43' ' ' ILE . 2.9 tm? -45.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.008 0.923 . . . . 0.0 111.961 -174.413 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.467 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -43.54 -53.38 6.04 Favored Glycine 0 CA--C 1.57 3.528 0 O-C-N 121.091 -1.006 . . . . 0.0 115.148 -174.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -62.94 -35.77 81.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.239 -1.154 . . . . 0.0 113.861 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.16 -55.26 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.192 171.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -54.49 -49.34 70.37 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.028 -1.045 . . . . 0.0 111.34 173.297 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -117.96 34.7 5.04 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.465 -0.772 . . . . 0.0 110.829 -157.133 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.946 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 165.977 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 . . . . . 0 N--CA 1.496 1.838 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.72 -21.02 63.51 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -59.9 -56.2 24.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.306 -0.871 . . . . 0.0 112.689 161.319 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.879 HG23 HD12 ' A' ' 27' ' ' LEU . 1.2 mp -59.56 -42.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.243 177.18 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -34.95 75.02 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.32 -46.99 81.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -0.859 . . . . 0.0 112.643 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.36 -46.57 69.74 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -176.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -33.63 64.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 112.013 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -84.29 -12.97 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.299 -0.876 . . . . 0.0 110.553 177.031 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.99 -58.32 5.16 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.242 -1.536 . . . . 0.0 112.442 158.057 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.29 1.86 7.03 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.096 -1.003 . . . . 0.0 113.251 177.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.63 122.25 19.42 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.005 -1.06 . . . . 0.0 112.633 178.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.03 -140.48 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.072 -1.018 . . . . 0.0 110.087 158.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -73.36 -57.26 4.14 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.223 168.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m120 58.91 99.65 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 0.0 113.377 164.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -37.93 -46.6 0.99 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.191 -0.943 . . . . 0.0 112.669 162.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.82 -39.36 0.04 OUTLIER Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.23 -0.919 . . . . 0.0 115.129 -177.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.69 169.31 13.94 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.174 -1.192 . . . . 0.0 113.873 -155.536 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.945 HG23 ' HB2' ' B' ' 62' ' ' GLU . 78.5 mt -111.92 137.65 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.07 -1.019 . . . . 0.0 110.297 -177.141 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -124.23 173.5 8.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.653 -1.279 . . . . 0.0 112.756 166.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.92 -40.72 57.79 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.441 1.096 . . . . 0.0 112.257 -153.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.29 -77.93 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.692 -1.255 . . . . 0.0 113.737 167.274 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.945 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.1 OUTLIER -31.02 -42.79 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 169.165 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -57.92 -47.81 81.74 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.951 -1.093 . . . . 0.0 112.198 178.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.948 ' CD2' ' HG3' ' A' ' 4' ' ' GLU . 29.2 mt -62.28 -22.12 65.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.236 -0.915 . . . . 0.0 111.761 179.593 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -87.1 -51.53 5.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.159 -0.963 . . . . 0.0 109.352 173.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.7 ttm -50.19 -15.24 0.21 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 176.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mmt -88.59 -69.18 0.72 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 156.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.497 1.877 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -155.581 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.6 mm-40 . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 121.237 0.541 . . . . 0.0 111.843 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.63 -75.46 0.2 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -155.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.84 66.7 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 178.313 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.772 HD21 ' HE3' ' B' ' 67' ' ' MET . 62.0 mt -89.94 -14.92 33.11 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.355 1.062 . . . . 0.0 111.778 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.93 -52.85 8.19 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 161.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -45.85 -44.48 14.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.229 -0.919 . . . . 0.0 113.263 158.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -66.19 -42.58 88.66 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 176.713 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HE2' ' HA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -74.08 -36.96 64.33 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.881 0.872 . . . . 0.0 112.033 -176.353 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -35.72 81.9 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.164 0.986 . . . . 0.0 112.944 169.612 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -76.53 -33.94 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.383 1.073 . . . . 0.0 110.25 -174.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.26 -29.13 65.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.314 -0.866 . . . . 0.0 110.417 169.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.46 156.85 37.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.208 -0.933 . . . . 0.0 112.724 -172.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.74 -46.71 0.49 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.045 -1.034 . . . . 0.0 109.266 178.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -85.2 -30.31 23.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -171.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.06 65.24 0.05 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 158.227 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.11 13.93 14.83 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.724 1.21 . . . . 0.0 112.655 156.61 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.97 32.29 82.14 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.259 -0.901 . . . . 0.0 115.112 -165.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -123.76 159.64 29.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.194 -1.18 . . . . 0.0 111.691 174.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -106.04 150.8 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.948 -1.095 . . . . 0.0 110.273 165.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -123.1 158.27 31.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.205 -0.935 . . . . 0.0 112.679 177.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.79 -28.49 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.33 -0.856 . . . . 0.0 110.196 -178.279 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.31 -29.22 57.25 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -178.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.692 ' O ' HD13 ' A' ' 30' ' ' ILE . 96.8 mt-10 -77.54 -32.05 53.72 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 167.201 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.973 HD12 HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -44.33 -72.71 0.05 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.296 -0.878 . . . . 0.0 111.915 -177.346 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -39.75 -65.35 0.9 Allowed Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.178 -0.951 . . . . 0.0 115.105 163.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 96.1 mt-10 -61.28 -32.17 72.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.212 -1.17 . . . . 0.0 113.859 -166.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.692 HD13 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -59.94 -59.71 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.141 -0.974 . . . . 0.0 110.239 160.87 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.973 HD23 HD12 ' A' ' 27' ' ' LEU . 3.3 pp -80.88 19.51 0.85 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.012 -1.055 . . . . 0.0 111.757 -172.112 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -129.7 -24.65 2.69 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.065 -1.022 . . . . 0.0 110.867 168.173 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -173.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.496 1.849 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -21.45 64.13 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.34 -29.89 15.4 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.21 -0.931 . . . . 0.0 112.682 177.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.3 -30.86 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.064 -1.022 . . . . 0.0 110.223 159.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.65 -32.81 58.22 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 173.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -63.29 -34.77 78.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.282 -0.886 . . . . 0.0 112.616 163.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -76.31 -43.23 42.24 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.254 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tpt -94.49 18.27 11.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.157 -0.964 . . . . 0.0 112.147 175.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -31.15 6.98 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.224 -0.923 . . . . 0.0 110.08 161.869 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.41 -65.09 0.73 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.949 -1.094 . . . . 0.0 112.457 161.143 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . 0.586 ' O ' ' HE2' ' B' ' 52' ' ' LYS . 4.7 m -77.01 -21.42 54.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.129 -0.982 . . . . 0.0 112.884 -164.601 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.52 173.17 0.19 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.144 -0.973 . . . . 0.0 112.731 165.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' B' ' 50' ' ' SER . 0.0 OUTLIER -139.96 -109.71 0.15 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.932 -1.105 . . . . 0.0 110.081 170.441 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.12 22.4 0.65 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.692 -1.255 . . . . 0.0 113.828 -169.6 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 73.65 31.05 1.33 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.184 1.394 . . . . 0.0 113.101 170.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -92.13 55.33 2.57 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.346 1.059 . . . . 0.0 112.282 153.365 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.62 10.94 0.64 Allowed Glycine 0 CA--C 1.571 3.584 0 N-CA-C 115.842 1.097 . . . . 0.0 115.842 -158.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -91.49 139.18 30.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.021 -1.282 . . . . 0.0 113.878 174.421 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.926 HG23 ' HB2' ' B' ' 62' ' ' GLU . 26.7 mt -111.26 159.44 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 124.005 0.922 . . . . 0.0 110.63 -154.115 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.02 -174.17 3.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.095 -1.003 . . . . 0.0 112.815 174.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.625 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 1.9 t80 -65.46 -34.33 78.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 112.037 -169.026 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.98 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 124.621 2.153 . . . . 0.0 111.282 168.869 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.7 mt-10 -28.53 -36.08 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 113.885 -1.507 . . . . 0.0 113.781 167.396 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.432 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 2.9 t80 -62.28 -52.61 63.03 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.065 -1.022 . . . . 0.0 112.092 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.11 -47.21 65.41 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 125.189 1.396 . . . . 0.0 111.879 174.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -24.19 38.07 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.114 -0.991 . . . . 0.0 109.344 -174.393 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 31.6 ttp -67.96 -54.59 17.42 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 175.668 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.772 ' HE3' HD21 ' A' ' 7' ' ' LEU . 37.0 ttp -64.85 -41.76 95.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.219 -0.925 . . . . 0.0 110.595 176.41 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 N--CA 1.497 1.921 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 176.867 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 CA--C 1.574 1.874 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.696 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.1 tt0 -30.25 -71.31 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 172.913 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.19 -38.86 75.43 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -164.739 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.776 HD13 ' CD2' ' B' ' 64' ' ' LEU . 33.6 mt -74.05 -18.39 60.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.546 1.139 . . . . 0.0 111.799 168.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.97 -60.32 2.59 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 165.505 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -41.98 -54.64 3.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.19 -0.944 . . . . 0.0 113.21 158.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.669 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -61.59 -39.11 90.01 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.686 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 51.1 t80 -74.9 -30.8 61.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.213 -0.929 . . . . 0.0 112.092 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -65.01 -46.84 79.72 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.172 0.989 . . . . 0.0 112.897 164.6 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.05 -29.65 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 124.416 1.086 . . . . 0.0 110.215 -166.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 13.8 m-30 -70.36 -37.38 74.58 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 124.062 0.945 . . . . 0.0 110.5 168.536 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -64.03 147.64 51.62 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.174 -0.954 . . . . 0.0 112.789 -178.331 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.89 -40.75 3.46 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.111 -0.993 . . . . 0.0 109.279 -177.361 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -108.44 -34.17 6.85 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.56 48.32 0.12 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 158.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.54 17.75 7.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.151 -0.968 . . . . 0.0 112.785 154.459 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.57 -3.22 56.21 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 121.007 -1.058 . . . . 0.0 115.424 164.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -119.06 154.57 32.94 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.083 -1.245 . . . . 0.0 111.668 -175.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 mm -94.96 125.12 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 C-N-CA 124.448 1.099 . . . . 0.0 110.279 164.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -108.63 178.86 4.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.043 -1.036 . . . . 0.0 112.785 -170.327 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.436 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 2.3 tp -67.81 -39.69 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.166 -0.959 . . . . 0.0 110.252 178.191 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.92 -27.35 63.71 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 30' ' ' ILE . 65.3 mt-10 -71.37 -28.3 63.94 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.621 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' SD ' ' B' ' 47' ' ' MET . 31.0 tp -67.39 -63.06 1.14 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.184 -0.948 . . . . 0.0 111.88 -165.104 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.42 -38.22 41.65 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.208 -0.932 . . . . 0.0 115.143 178.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.52 -34.93 35.22 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.18 -1.188 . . . . 0.0 113.854 -172.55 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 26' ' ' GLU . 4.5 mt -51.33 -64.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.158 -0.964 . . . . 0.0 110.175 159.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD21 HG12 ' B' ' 43' ' ' ILE . 4.5 pp -70.77 -0.6 9.27 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.007 -1.058 . . . . 0.0 111.774 -168.104 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -118.03 -75.85 0.58 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 169.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -169.615 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.49 -44.72 74.12 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -52.82 -48.15 67.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.222 -0.924 . . . . 0.0 112.663 165.543 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.505 HG12 HD21 ' A' ' 31' ' ' LEU . 2.0 mp -58.43 -60.46 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.311 -0.868 . . . . 0.0 110.134 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -34.04 77.14 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.975 -1.078 . . . . 0.0 113.742 -168.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.37 -34.44 70.45 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.906 0.882 . . . . 0.0 112.686 172.293 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.42 -44.23 96.92 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.644 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.526 ' SD ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -64.9 -35.76 82.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.16 -0.962 . . . . 0.0 112.078 176.927 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -27.08 57.58 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 121.246 -0.909 . . . . 0.0 110.342 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.92 -43.2 83.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.22 -0.925 . . . . 0.0 112.401 174.517 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.3 p -94.76 -26.86 16.08 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.952 . . . . 0.0 112.89 -169.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.65 81.17 0.84 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.177 -0.952 . . . . 0.0 112.668 -175.152 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -51.35 -61.45 2.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.224 -0.923 . . . . 0.0 109.929 -172.3 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -59.51 -31.39 69.32 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.921 . . . . 0.0 113.21 -164.162 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 16.0 m120 55.4 44.21 27.51 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 113.275 -172.477 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.26 -50.87 6.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.208 -0.932 . . . . 0.0 112.704 161.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -48.78 0.32 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.185 -0.947 . . . . 0.0 115.26 163.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -115.78 168.77 9.75 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.343 -1.093 . . . . 0.0 113.818 -161.576 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' B' ' 62' ' ' GLU . 75.2 mt -107.58 148.33 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.042 -1.036 . . . . 0.0 110.205 -172.587 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -105.57 -164.2 1.01 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.019 . . . . 0.0 112.814 170.284 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -67.33 -36.01 80.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.045 -1.034 . . . . 0.0 111.972 173.317 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.86 -84.49 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.696 2.189 . . . . 0.0 111.609 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.842 ' HB2' HG23 ' B' ' 58' ' ' ILE . 54.6 mt-10 -29.3 -34.82 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.75 0 CA-C-N 113.96 -1.473 . . . . 0.0 113.96 166.543 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.686 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 57.0 t80 -62.3 -48.08 81.47 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.982 -1.074 . . . . 0.0 111.703 176.367 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.776 ' CD2' HD13 ' A' ' 7' ' ' LEU . 19.8 mt -58.57 -41.97 86.92 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.205 1.402 . . . . 0.0 111.815 174.864 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -66.15 -33.49 75.88 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.09 -1.006 . . . . 0.0 109.415 173.659 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.581 ' HE2' HD13 ' B' ' 58' ' ' ILE . 9.5 ttm -77.42 -28.8 52.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -173.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.4 ttm -96.7 -17.36 20.38 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 110.558 -178.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 . . . . . 0 N--CA 1.497 1.899 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 159.267 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.258 1.6 mm-40 . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 121.009 0.433 . . . . 0.0 112.002 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -70.56 -48.7 54.07 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.338 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.05 -31.66 34.39 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.52 HD11 ' SD ' ' B' ' 67' ' ' MET . 0.1 OUTLIER -71.29 -14.57 62.26 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.27 -0.894 . . . . 0.0 111.711 162.015 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -70.75 -68.29 0.44 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 167.289 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -34.21 -54.87 0.51 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.275 -0.891 . . . . 0.0 113.268 159.711 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.46 80.39 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.508 ' HE1' HG12 ' A' ' 22' ' ' ILE . 58.1 t80 -68.44 -37.78 80.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.188 -0.945 . . . . 0.0 112.275 174.6 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.77 -37.91 67.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.157 -0.964 . . . . 0.0 112.928 174.338 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -81.59 -33.22 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 C-N-CA 124.329 1.052 . . . . 0.0 110.151 -168.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 30' ' ' ILE . 6.6 m-30 -48.65 -62.85 1.29 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.278 -0.889 . . . . 0.0 110.429 162.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.29 141.15 55.94 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.137 -0.977 . . . . 0.0 112.758 -164.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -74.28 -61.12 1.97 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 -170.048 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 3.3 p30 -96.95 -27.52 14.61 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -167.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.2 52.87 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.184 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -84.26 3.51 35.12 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.23 -0.919 . . . . 0.0 112.98 154.449 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.402 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 97.43 5.92 57.73 Favored Glycine 0 CA--C 1.571 3.569 0 O-C-N 120.533 -1.354 . . . . 0.0 115.239 163.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -110.38 160.86 16.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.148 -1.207 . . . . 0.0 111.694 174.712 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.681 HG23 ' CD ' ' A' ' 26' ' ' GLU . 7.5 mm -98.09 123.98 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.128 -0.983 . . . . 0.0 110.242 161.01 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -98.96 165.34 11.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.004 -1.06 . . . . 0.0 112.703 175.506 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -30.95 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.356 -0.84 . . . . 0.0 110.158 178.56 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -29.87 58.41 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -176.799 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.681 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.19 -47.3 80.32 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 121.203 -0.935 . . . . 0.0 113.513 171.182 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.1 tm? -53.48 -61.13 2.5 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.986 1.314 . . . . 0.0 111.93 -167.223 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -40.64 -39.55 1.83 Allowed Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.136 -0.977 . . . . 0.0 115.156 173.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.38 -31.42 42.86 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.23 -1.159 . . . . 0.0 113.931 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.601 HG22 HD23 ' A' ' 31' ' ' LEU . 13.1 mt -54.41 -67.31 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.205 -0.934 . . . . 0.0 110.279 161.768 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.652 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.47 -7.8 1.02 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.117 -0.989 . . . . 0.0 111.449 -176.861 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -92.91 -54.42 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.337 -0.852 . . . . 0.0 110.854 167.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -161.631 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 . . . . . 0 N--CA 1.497 1.894 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.2 -44.79 87.23 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 173.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -47.04 85.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.19 -0.943 . . . . 0.0 112.681 174.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 mp -61.2 -39.81 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.187 -0.946 . . . . 0.0 110.299 178.237 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -35.74 57.32 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 179.359 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.08 -26.86 61.42 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.044 0.938 . . . . 0.0 112.67 174.402 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.7 -43.45 37.58 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.644 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 19.31 0.71 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.084 -1.01 . . . . 0.0 111.968 167.285 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -130.99 -14.45 3.47 Favored 'General case' 0 N--CA 1.498 1.951 0 C-N-CA 123.844 0.858 . . . . 0.0 110.674 162.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.84 -42.11 86.29 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.348 -1.47 . . . . 0.0 112.426 162.587 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -105.72 -24.2 12.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.089 -1.007 . . . . 0.0 112.945 -173.257 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.18 36.02 0.5 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.277 -0.889 . . . . 0.0 112.805 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -20.73 60.9 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 109.955 -174.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.66 -21.07 24.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.184 -0.947 . . . . 0.0 113.229 -177.269 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.2 m120 44.32 78.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.211 -0.931 . . . . 0.0 113.249 -167.638 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.75 -40.46 0.55 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.187 0.995 . . . . 0.0 112.641 154.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.75 -24.63 1.8 Allowed Glycine 0 CA--C 1.571 3.547 0 N-CA-C 115.477 0.951 . . . . 0.0 115.477 175.114 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -135.1 157.58 46.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.999 -1.295 . . . . 0.0 114.215 -154.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' B' ' 62' ' ' GLU . 58.8 mt -110.93 151.92 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 C-N-CA 123.985 0.914 . . . . 0.0 110.425 -166.747 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.4 p30 -123.22 165.9 16.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.794 -1.191 . . . . 0.0 112.734 171.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -33.36 16.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.975 -1.078 . . . . 0.0 112.077 -166.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.45 -83.59 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.152 0 CA-C-O 124.7 2.19 . . . . 0.0 111.352 168.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.899 ' HB2' HG23 ' B' ' 58' ' ' ILE . 7.8 mm-40 -22.91 -43.77 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.569 165.339 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.401 ' HE1' ' HD2' ' A' ' 14' ' ' PHE . 69.4 t80 -59.92 -46.2 90.14 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.741 0.781 . . . . 0.0 111.841 -179.573 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.11 -46.93 87.97 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.47 1.108 . . . . 0.0 111.907 172.598 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -60.21 -36.61 78.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 176.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 28.9 ttp -76.05 -49.86 16.36 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -172.108 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . 0.52 ' SD ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.19 -10.91 59.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.301 -0.875 . . . . 0.0 110.612 176.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 158.718 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.9 tt0 . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 121.149 0.5 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.84 -54.33 35.94 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -162.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -24.41 19.94 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -167.45 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -38.49 69.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.142 -0.974 . . . . 0.0 111.742 164.196 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.42 -60.79 3.17 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.3 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -37.31 -52.26 1.08 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.218 -0.926 . . . . 0.0 113.256 162.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.82 71.65 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -173.331 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.685 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 2.0 t80 -69.72 -41.34 75.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.331 -0.856 . . . . 0.0 112.049 179.604 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -58.76 -38.78 79.22 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 124.219 1.008 . . . . 0.0 113.027 166.044 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.75 -36.51 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.028 -1.045 . . . . 0.0 110.218 -172.272 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -57.98 -48.33 80.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.836 . . . . 0.0 110.426 172.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -73.01 108.75 6.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.259 -0.901 . . . . 0.0 112.77 -170.501 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -23.96 66.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.133 -0.979 . . . . 0.0 109.173 -172.561 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.11 -36.61 10.92 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 179.036 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.23 46.31 25.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.68 -25.21 64.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.233 -0.917 . . . . 0.0 112.721 154.505 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.55 -19.44 3.79 Favored Glycine 0 CA--C 1.572 3.648 0 N-CA-C 115.525 0.97 . . . . 0.0 115.525 179.708 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.72 166.01 11.76 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.25 . . . . 0.0 111.671 -168.38 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.91 155.67 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 C-N-CA 124.332 1.053 . . . . 0.0 110.29 164.826 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -121.92 168.07 12.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.141 -0.974 . . . . 0.0 112.68 172.04 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -31.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.106 -0.996 . . . . 0.0 110.23 174.385 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.95 -32.15 71.54 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.14 -33.73 59.41 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.3 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.655 HD12 HG21 ' B' ' 43' ' ' ILE . 2.5 tm? -47.76 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.576 1.15 . . . . 0.0 111.913 -169.094 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.531 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -40.6 -43.65 3.03 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.122 -0.986 . . . . 0.0 115.036 174.157 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.655 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.65 -31.11 69.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -1.126 . . . . 0.0 113.902 -176.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.413 HG22 HD23 ' A' ' 31' ' ' LEU . 4.8 mm -53.67 -69.5 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 158.756 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.413 HD23 HG22 ' A' ' 30' ' ' ILE . 1.1 mt -56.63 -16.62 6.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -0.924 . . . . 0.0 111.421 -166.631 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -126.15 -59.85 1.3 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.356 -0.84 . . . . 0.0 110.905 -179.151 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -154.765 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.47 -28.5 69.33 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.926 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.15 -47.55 82.99 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.7 173.408 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.655 HG21 HD12 ' A' ' 27' ' ' LEU . 2.9 mp -78.49 -36.07 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.208 -0.932 . . . . 0.0 110.212 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -39.87 93.07 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 178.826 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 -41.44 81.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.343 -0.848 . . . . 0.0 112.659 169.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.33 -45.27 76.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.451 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -47.05 13.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.176 -0.953 . . . . 0.0 112.057 -178.53 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.55 -24.86 67.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.259 -0.901 . . . . 0.0 110.033 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.24 -61.0 2.14 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.886 -1.134 . . . . 0.0 112.476 158.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -52.59 -25.75 11.48 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.098 -1.001 . . . . 0.0 112.804 -164.073 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.34 -163.24 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.268 -0.895 . . . . 0.0 112.723 172.698 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -73.4 0.63 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.236 -0.915 . . . . 0.0 110.05 154.811 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.47 11.32 2.06 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -161.381 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.09 32.92 19.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.068 -1.02 . . . . 0.0 113.202 -173.046 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.78 63.87 1.72 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.047 0.939 . . . . 0.0 112.613 154.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.59 -32.4 2.87 Favored Glycine 0 CA--C 1.571 3.589 0 O-C-N 121.298 -0.876 . . . . 0.0 115.224 -162.446 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 131.38 32.31 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.175 -1.191 . . . . 0.0 113.859 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.903 HG23 ' HB2' ' B' ' 62' ' ' GLU . 53.6 mt -105.96 145.78 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.208 -0.932 . . . . 0.0 110.2 -158.139 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -120.22 176.93 5.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.958 -1.089 . . . . 0.0 112.838 167.422 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.459 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -59.1 -36.56 75.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.046 -1.034 . . . . 0.0 111.957 -157.804 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -77.58 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.573 1.149 . . . . 0.0 113.821 167.168 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.903 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.0 mm-40 -31.01 -43.58 0.05 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 168.228 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.685 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 44.2 t80 -57.77 -46.31 84.73 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.188 -0.945 . . . . 0.0 111.86 179.224 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.82 -32.97 74.91 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.278 -0.889 . . . . 0.0 111.763 -176.219 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.55 -36.72 21.94 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 -178.268 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 2.5 ttm -53.48 -50.54 65.12 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.235 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -54.45 18.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.262 -0.899 . . . . 0.0 110.541 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -166.457 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 121.597 0.713 . . . . 0.0 111.721 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.91 -68.27 0.34 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.23 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -25.92 53.92 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -171.148 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mp -74.92 -21.95 58.9 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.134 0.974 . . . . 0.0 111.743 169.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.32 -56.4 6.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 164.527 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -39.29 -60.38 0.92 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.218 -0.926 . . . . 0.0 113.203 163.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.48 -43.51 79.71 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.843 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.2 -44.78 94.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.133 -0.979 . . . . 0.0 112.32 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -30.77 43.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.13 -0.981 . . . . 0.0 112.868 178.089 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -66.3 -37.77 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 124.198 0.999 . . . . 0.0 110.334 176.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -63.61 -30.68 71.76 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.967 0.907 . . . . 0.0 110.396 -174.059 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -74.18 133.38 42.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.229 -0.919 . . . . 0.0 112.808 -163.419 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -69.23 -58.4 4.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.189 -0.944 . . . . 0.0 109.298 175.641 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 8.6 t-20 -88.51 -28.94 20.47 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.574 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.18 50.03 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 167.624 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.29 10.38 34.37 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.205 -0.935 . . . . 0.0 112.712 160.411 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.15 17.12 67.76 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.083 -1.01 . . . . 0.0 115.099 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -116.24 164.13 14.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.281 -1.129 . . . . 0.0 111.672 -176.398 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.664 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -102.49 131.66 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.126 -0.984 . . . . 0.0 110.288 163.581 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 162.12 14.18 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.186 -0.946 . . . . 0.0 112.641 -178.762 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -12.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.9 . . . . 0.0 110.488 174.194 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -77.76 -37.1 49.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.559 -1.338 . . . . 0.0 113.742 169.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.664 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -75.22 -48.38 23.72 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -173.27 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 31' ' ' LEU . 2.4 tm? -36.79 -69.4 0.11 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.078 1.351 . . . . 0.0 112.075 177.225 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.538 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -56.8 -41.84 91.24 Favored Glycine 0 CA--C 1.571 3.545 0 O-C-N 121.097 -1.002 . . . . 0.0 115.147 -169.074 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -33.93 59.1 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.2 -1.176 . . . . 0.0 113.869 -178.745 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.16 -66.5 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 164.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.3 pp -59.15 -13.21 6.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.987 -1.07 . . . . 0.0 111.686 -169.637 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.539 ' N ' HD12 ' A' ' 31' ' ' LEU . 2.3 tpp85 -96.11 -37.93 10.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.149 -0.969 . . . . 0.0 110.779 172.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -165.17 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.97 -20.89 66.72 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.99 -41.18 29.66 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.247 -0.908 . . . . 0.0 112.712 179.32 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.573 HG12 HD11 ' A' ' 27' ' ' LEU . 6.2 mt -58.2 -52.41 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.142 -0.974 . . . . 0.0 110.221 164.477 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.23 -30.75 71.66 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.74 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.95 -28.48 57.96 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.045 0.938 . . . . 0.0 112.7 174.281 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.73 -47.03 56.54 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 167.622 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -86.57 19.38 2.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.852 -1.155 . . . . 0.0 112.076 170.897 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -48.12 4.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.233 -0.917 . . . . 0.0 109.86 157.205 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.56 -49.37 63.57 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.346 -0.846 . . . . 0.0 112.494 -173.189 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -13.89 59.87 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.263 -0.898 . . . . 0.0 113.053 172.802 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -82.14 16.12 2.09 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.151 -0.968 . . . . 0.0 112.655 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' B' ' 53' ' ' ASN . 0.0 OUTLIER -60.4 -43.64 96.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.21 -0.931 . . . . 0.0 109.971 -166.071 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.437 ' N ' ' HG2' ' B' ' 52' ' ' LYS . 9.1 p30 -71.59 -1.17 12.63 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -168.791 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 62.4 41.68 9.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.752 -1.217 . . . . 0.0 113.232 -176.763 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -109.99 75.23 0.93 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.954 1.301 . . . . 0.0 112.637 154.176 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.97 2.56 0.03 OUTLIER Glycine 0 CA--C 1.571 3.541 0 O-C-N 121.278 -0.889 . . . . 0.0 115.158 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.5 146.64 41.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.277 -1.131 . . . . 0.0 113.843 157.119 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.849 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.2 mt -104.5 151.89 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.231 -162.148 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -111.51 -170.57 1.67 Allowed 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.38 1.072 . . . . 0.0 112.81 164.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.63 -29.93 67.53 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.817 -1.177 . . . . 0.0 112.065 -171.621 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.93 -83.02 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.122 0 CA-C-O 124.748 2.213 . . . . 0.0 111.41 169.871 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.849 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.8 mp0 -21.02 -44.18 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.666 162.469 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.87 -51.03 71.44 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.823 0.82 . . . . 0.0 111.642 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.05 -31.55 70.08 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.649 1.18 . . . . 0.0 111.817 176.132 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -37.59 69.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.112 -0.993 . . . . 0.0 109.294 171.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.616 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.5 ttp -74.18 -31.31 62.63 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -82.19 0.05 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.22 -0.925 . . . . 0.0 110.585 160.427 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -164.495 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.943 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.99 -37.0 85.39 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.821 -1.174 . . . . 0.0 113.863 -161.136 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -46.1 13.58 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -177.574 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.669 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -63.17 -13.14 33.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.175 -0.953 . . . . 0.0 111.785 166.454 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.77 -46.43 11.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 171.408 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -50.94 -43.3 60.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.264 -0.898 . . . . 0.0 113.243 162.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.9 56.06 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.655 ' HE1' HG13 ' A' ' 22' ' ' ILE . 16.7 t80 -68.44 -35.42 77.58 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.232 -0.918 . . . . 0.0 112.205 173.633 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -66.18 -40.38 90.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.927 165.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -71.57 -28.17 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 124.328 1.051 . . . . 0.0 110.272 -173.218 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.597 ' HD2' ' CE2' ' B' ' 63' ' ' PHE . 5.5 m-85 -73.8 -43.53 58.61 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.059 0.944 . . . . 0.0 110.412 174.436 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -70.57 125.07 25.78 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.227 -0.92 . . . . 0.0 112.786 -175.061 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.93 83.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.066 -1.022 . . . . 0.0 109.221 -165.723 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -114.16 0.47 14.25 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.28 46.99 12.03 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 163.183 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -87.26 8.63 23.33 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.216 -0.928 . . . . 0.0 112.677 161.407 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.05 35.15 71.1 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.19 -0.944 . . . . 0.0 115.141 -178.221 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.23 158.57 33.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.294 -1.121 . . . . 0.0 111.629 169.824 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.655 HG13 ' HE1' ' A' ' 11' ' ' PHE . 1.8 mt -109.1 153.16 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.015 -1.053 . . . . 0.0 110.22 160.109 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -129.54 167.61 17.64 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.031 -1.043 . . . . 0.0 112.726 168.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.539 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -61.18 -30.46 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.256 -0.903 . . . . 0.0 110.156 -178.806 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -23.09 39.48 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.873 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.77 -29.05 61.0 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 164.225 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 27' ' ' LEU . 2.1 tt -63.57 -70.06 0.24 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.105 -0.997 . . . . 0.0 111.872 -163.078 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.65 -28.79 47.08 Favored Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.223 -0.923 . . . . 0.0 115.118 178.663 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.79 -45.74 88.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -1.168 . . . . 0.0 113.908 171.186 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -50.73 -57.27 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.147 -0.971 . . . . 0.0 110.203 168.193 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -60.95 -15.76 34.91 Favored 'General case' 0 CA--C 1.574 1.895 0 O-C-N 121.134 -0.979 . . . . 0.0 111.42 -176.577 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -119.28 -2.11 10.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.234 -0.916 . . . . 0.0 111.392 -177.293 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.99 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 178.739 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -16.11 61.82 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.365 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.88 -33.85 22.71 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.227 -0.921 . . . . 0.0 112.698 168.725 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 24' ' ' ILE . 9.1 mm -57.58 -39.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.069 -1.02 . . . . 0.0 110.226 161.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -34.38 71.31 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.731 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -59.58 -48.61 80.99 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.0 112.679 167.109 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -74.11 -45.19 50.57 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.661 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -86.73 5.62 35.41 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.045 -1.035 . . . . 0.0 112.159 -179.518 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -33.04 12.0 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.257 -0.902 . . . . 0.0 110.084 157.071 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.15 -23.94 65.84 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.565 -0.71 . . . . 0.0 112.442 -178.78 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -102.11 -43.87 5.62 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.338 -0.851 . . . . 0.0 112.923 171.851 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.89 -3.32 50.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.222 -0.924 . . . . 0.0 112.755 -155.202 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 16.51 0.14 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.136 -0.978 . . . . 0.0 110.497 -161.092 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.58 9.18 1.14 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 113.612 164.114 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 m120 60.23 35.87 20.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.916 -1.115 . . . . 0.0 113.27 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.71 67.06 0.75 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.001 1.32 . . . . 0.0 112.565 154.541 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.4 1.05 Allowed Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.183 0.833 . . . . 0.0 115.183 -166.203 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -101.72 154.89 18.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -1.172 . . . . 0.0 113.821 174.526 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.955 HG23 ' HB2' ' B' ' 62' ' ' GLU . 14.2 mt -107.34 149.72 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.171 -0.955 . . . . 0.0 110.195 -154.454 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -125.06 -175.85 3.41 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.095 -1.003 . . . . 0.0 112.866 169.585 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.463 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -59.46 -40.81 88.06 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.79 -1.194 . . . . 0.0 112.322 -163.801 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -78.46 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.768 -1.207 . . . . 0.0 113.604 166.124 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.955 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.5 mt-10 -34.27 -39.86 0.08 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 172.449 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.597 ' CE2' ' HD2' ' A' ' 14' ' ' PHE . 52.4 t80 -57.02 -54.01 51.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.596 -1.315 . . . . 0.0 112.175 175.536 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 7' ' ' LEU . 53.1 mt -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.302 -0.874 . . . . 0.0 111.767 -178.408 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -81.48 -44.6 17.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -178.284 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 14.8 ttp -60.3 -33.57 72.56 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -85.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.191 -0.943 . . . . 0.0 110.531 161.447 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 N--CA 1.497 1.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -155.456 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.5 tt0 . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 121.111 0.481 . . . . 0.0 111.935 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.804 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.0 tt0 -55.38 -44.33 75.97 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -157.522 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.66 -51.94 8.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.403 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.932 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -46.92 -46.15 21.09 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.144 -0.973 . . . . 0.0 111.675 160.222 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -42.24 -69.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 166.417 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -48.33 -48.94 35.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.198 -0.939 . . . . 0.0 113.254 178.571 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.08 70.82 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.438 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 69.7 t80 -72.41 -30.81 64.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.132 -0.98 . . . . 0.0 112.132 173.504 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.533 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -69.31 -49.86 51.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.108 -0.995 . . . . 0.0 112.869 162.724 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.125 0.97 . . . . 0.0 110.306 -167.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' A' ' 30' ' ' ILE . 12.8 m-85 -63.0 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.28 -0.888 . . . . 0.0 110.395 162.202 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -46.7 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.191 -0.943 . . . . 0.0 112.846 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 36.59 0.97 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.14 -0.975 . . . . 0.0 109.408 -165.345 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -165.02 -32.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.13 37.45 0.98 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 157.669 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -54.58 -28.85 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.22 -0.925 . . . . 0.0 112.748 156.517 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.97 -39.05 0.96 Allowed Glycine 0 CA--C 1.572 3.627 0 O-C-N 121.202 -0.936 . . . . 0.0 115.138 -179.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -109.82 173.27 6.4 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.256 -1.143 . . . . 0.0 111.774 -158.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' B' ' 63' ' ' PHE . 18.1 mt -112.87 141.65 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.955 -1.091 . . . . 0.0 110.297 164.617 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.85 164.43 20.04 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.16 -0.963 . . . . 0.0 112.699 -169.346 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.81 -21.76 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.198 -0.939 . . . . 0.0 110.339 -179.274 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.9 -31.59 63.19 Favored 'General case' 0 CA--C 1.573 1.827 0 O-C-N 120.899 -1.126 . . . . 0.0 113.715 169.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -74.05 -29.36 61.86 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 165.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 28' ' ' GLY . 2.2 tm? -51.78 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.109 0.964 . . . . 0.0 111.903 -178.149 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -51.69 -29.81 26.45 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.138 -0.976 . . . . 0.0 115.11 -177.14 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 10.4 tt0 -80.49 -29.42 37.37 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -1.131 . . . . 0.0 113.866 -179.206 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 14' ' ' PHE . 61.8 mt -53.81 -71.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.216 -0.928 . . . . 0.0 110.248 155.391 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.21 -11.81 58.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.192 -0.942 . . . . 0.0 111.728 -163.729 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -106.38 -20.41 13.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 110.833 174.547 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.881 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 . . . . . 0 N--CA 1.497 1.91 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -67.18 -49.68 63.77 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.022 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.99 -42.97 99.99 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 112.638 178.4 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.442 HG21 HD12 ' A' ' 27' ' ' LEU . 5.5 mm -65.46 -32.42 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.255 -0.903 . . . . 0.0 110.272 176.605 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -41.51 92.35 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.153 -0.967 . . . . 0.0 113.555 168.234 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.46 -40.33 68.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.391 -0.818 . . . . 0.0 112.651 172.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -51.64 66.85 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 162.325 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.48 20.73 1.62 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.83 -1.169 . . . . 0.0 112.049 -166.433 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -136.81 -26.67 1.05 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.462 -0.773 . . . . 0.0 110.819 160.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.55 -25.27 66.04 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.091 -1.006 . . . . 0.0 112.251 167.366 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -98.31 -59.7 1.7 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.399 -0.813 . . . . 0.0 112.973 158.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.25 142.78 30.88 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.276 -0.89 . . . . 0.0 112.868 -154.311 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 115.06 18.35 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.138 -0.976 . . . . 0.0 109.865 153.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.39 -57.77 4.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 113.148 -154.596 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 42.74 89.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -157.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 0.83 54.29 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.725 -152.682 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.14 40.27 8.07 Favored Glycine 0 CA--C 1.572 3.616 0 O-C-N 121.236 -0.915 . . . . 0.0 115.134 154.437 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -141.92 136.55 30.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.248 -1.148 . . . . 0.0 113.927 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.734 HG23 ' HB2' ' B' ' 62' ' ' GLU . 74.3 mt -110.43 139.18 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.229 -0.919 . . . . 0.0 110.307 -169.524 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -115.68 177.39 4.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.903 -1.123 . . . . 0.0 112.804 167.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.414 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -59.48 -37.2 77.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.848 -1.158 . . . . 0.0 112.196 -161.9 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.57 -78.9 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.688 0 O-C-N 120.849 -1.157 . . . . 0.0 113.746 164.659 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.734 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.2 mt-10 -35.05 -31.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 171.52 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.687 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 38.1 t80 -62.05 -54.02 47.29 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.49 -1.382 . . . . 0.0 111.978 172.552 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.932 HD23 HD12 ' A' ' 7' ' ' LEU . 62.6 mt -59.13 -28.1 66.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 111.773 -177.115 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -88.33 -41.59 12.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.174 -0.954 . . . . 0.0 109.362 -178.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.3 ttp -50.61 -41.31 54.73 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 170.119 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.5 tpt -79.83 -60.83 2.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.919 . . . . 0.0 110.555 175.469 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -159.476 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 4.7 pt-20 . . . . . 0 N--CA 1.498 1.949 0 CA-C-O 121.224 0.535 . . . . 0.0 111.87 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.89 -17.92 56.77 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.361 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.62 -19.54 18.23 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 178.023 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 1.1 mt -73.09 -17.31 61.42 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.985 0.914 . . . . 0.0 111.754 155.312 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.09 -34.69 22.17 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 170.386 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -70.41 -31.81 69.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.214 -0.929 . . . . 0.0 113.291 163.596 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.99 -41.7 74.05 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.543 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.716 ' HE1' HG13 ' A' ' 22' ' ' ILE . 5.9 t80 -70.81 -37.85 73.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.303 -0.873 . . . . 0.0 112.06 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 112.881 164.561 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -64.34 -31.24 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 123.952 0.901 . . . . 0.0 110.343 -171.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 30' ' ' ILE . 3.1 m-30 -70.74 -35.82 72.85 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.395 173.102 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -78.31 102.33 7.63 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.212 -0.93 . . . . 0.0 112.849 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HE3' HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -93.77 21.85 6.11 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.153 -0.967 . . . . 0.0 109.784 -168.02 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.605 HD21 ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -139.26 -27.45 0.8 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 168.338 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 81.63 54.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 156.524 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.16 11.47 31.26 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.423 1.089 . . . . 0.0 112.715 158.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.31 71.43 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.071 -1.018 . . . . 0.0 115.15 175.287 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.54 169.43 10.68 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.258 -1.142 . . . . 0.0 111.719 178.081 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' HE1' ' A' ' 11' ' ' PHE . 8.0 mt -113.22 160.61 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.193 -0.942 . . . . 0.0 110.233 163.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.27 167.41 10.21 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.12 -0.987 . . . . 0.0 112.679 167.161 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.646 HD12 ' SD ' ' B' ' 47' ' ' MET . 3.3 tt -62.19 -30.56 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.097 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -74.14 -33.92 63.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.648 ' O ' HD13 ' A' ' 30' ' ' ILE . 62.6 mt-10 -70.78 -36.64 73.15 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 170.733 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -43.34 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.904 . . . . 0.0 111.903 -179.656 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.23 -43.51 4.64 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.177 -0.952 . . . . 0.0 115.134 -172.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -27.9 48.68 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.245 -1.15 . . . . 0.0 113.925 -173.349 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -53.58 -60.46 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.244 -0.91 . . . . 0.0 110.174 156.594 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -54.66 -31.98 58.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.146 -0.971 . . . . 0.0 111.367 -173.523 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.01 -54.41 6.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.819 . . . . 0.0 110.774 -176.83 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -169.231 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.66 -19.03 64.57 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.57 -42.21 15.69 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 112.64 178.372 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.04 -26.75 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.265 -0.897 . . . . 0.0 110.278 167.352 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -31.82 36.57 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 173.247 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.36 -41.95 99.01 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.244 -0.91 . . . . 0.0 112.666 169.595 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -76.68 -43.86 36.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.242 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.646 ' SD ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -86.56 13.71 8.04 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 112.224 178.36 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -28.55 7.68 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.219 -0.926 . . . . 0.0 110.113 163.697 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.34 -38.54 85.02 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.859 -1.151 . . . . 0.0 112.474 165.024 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.9 t -101.82 -28.53 12.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.24 -0.913 . . . . 0.0 112.837 -168.546 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.12 99.71 0.1 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.265 -0.897 . . . . 0.0 112.719 178.64 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -60.28 -75.18 0.06 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.238 -0.914 . . . . 0.0 109.987 169.548 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -68.96 -3.8 14.24 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.25 -0.906 . . . . 0.0 113.308 -156.254 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.9 m120 50.52 25.82 2.14 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.082 -1.011 . . . . 0.0 113.289 177.619 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.23 -17.71 23.35 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.257 -0.902 . . . . 0.0 112.812 163.14 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.34 19.82 17.42 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 120.889 -1.132 . . . . 0.0 115.225 170.16 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.6 147.93 28.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.16 -1.2 . . . . 0.0 113.849 -168.464 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.722 HG23 ' HB2' ' B' ' 62' ' ' GLU . 61.0 mt -108.36 155.83 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.162 -0.961 . . . . 0.0 110.154 -160.103 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -131.28 -173.2 3.04 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.186 0.994 . . . . 0.0 112.783 165.164 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.546 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 3.9 t80 -64.55 -40.31 95.34 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.797 -1.189 . . . . 0.0 112.116 -156.094 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -76.82 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.689 0 O-C-N 120.852 -1.155 . . . . 0.0 113.551 166.079 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.722 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.3 OUTLIER -29.13 -49.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 169.24 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -53.45 -45.57 69.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.447 -0.783 . . . . 0.0 112.194 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.74 -35.1 78.68 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.219 -0.925 . . . . 0.0 111.784 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -88.98 -40.94 12.67 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.158 -0.963 . . . . 0.0 109.35 -171.577 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -17.82 41.73 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 168.817 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -77.1 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.191 -0.943 . . . . 0.0 110.559 171.119 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -174.828 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.6 pt-20 . . . . . 0 N--CA 1.498 1.925 0 CA-C-O 121.232 0.539 . . . . 0.0 111.824 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.775 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.5 tt0 -54.02 -30.3 47.05 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -165.764 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -86.14 -56.02 3.65 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -172.264 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.415 HD22 HD23 ' B' ' 64' ' ' LEU . 2.9 mp -52.1 -13.96 0.37 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.23 -0.919 . . . . 0.0 111.769 158.096 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -76.49 -50.17 14.68 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 168.887 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.77 -43.85 94.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 113.203 168.223 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -36.43 84.06 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 176.581 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.781 ' HE1' HG13 ' A' ' 22' ' ' ILE . 4.9 t80 -72.78 -34.6 67.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.289 -0.882 . . . . 0.0 112.181 177.364 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -62.03 -44.98 95.54 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.209 -0.932 . . . . 0.0 112.94 161.196 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -79.3 -33.01 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 C-N-CA 124.41 1.084 . . . . 0.0 110.181 -163.701 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CD2' ' HE1' ' B' ' 63' ' ' PHE . 6.9 m-30 -55.43 -39.89 70.84 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.271 -0.893 . . . . 0.0 110.41 166.766 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -78.47 138.6 38.53 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.179 -0.951 . . . . 0.0 112.807 -168.124 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.71 ' HG2' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.05 -63.95 0.95 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.088 -1.007 . . . . 0.0 109.26 165.775 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.71 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 48.5 t-20 -90.31 -36.93 14.39 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -156.914 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 73.33 36.72 0.79 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 170.315 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.02 4.49 8.27 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.285 -0.884 . . . . 0.0 112.957 155.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.83 -4.99 57.94 Favored Glycine 0 CA--C 1.57 3.514 0 O-C-N 120.721 -1.237 . . . . 0.0 115.359 167.683 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -118.13 152.41 35.67 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.087 -1.243 . . . . 0.0 111.757 -175.645 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.781 HG13 ' HE1' ' A' ' 11' ' ' PHE . 5.6 mt -104.09 133.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.074 -1.016 . . . . 0.0 110.28 165.904 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -102.23 168.83 9.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.149 -0.969 . . . . 0.0 112.79 178.394 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -66.03 -25.15 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.283 -0.886 . . . . 0.0 110.364 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.21 -40.19 90.17 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.856 -1.153 . . . . 0.0 113.645 169.547 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -43.53 76.72 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 177.447 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -47.44 -70.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.48 1.112 . . . . 0.0 111.954 -175.872 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.691 ' HA2' HD12 ' A' ' 31' ' ' LEU . . . -27.79 -52.82 0.1 OUTLIER Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.098 -1.001 . . . . 0.0 115.152 163.184 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -73.08 -30.29 63.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.286 -1.126 . . . . 0.0 113.868 -172.628 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -60.76 -61.3 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.224 -0.923 . . . . 0.0 110.254 165.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.691 HD12 ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.46 -31.39 23.11 Favored 'General case' 0 CA--C 1.575 1.913 0 O-C-N 121.206 -0.934 . . . . 0.0 111.317 -178.683 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -101.35 -32.63 10.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.4 -0.813 . . . . 0.0 110.84 -165.23 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.942 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.394 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.497 1.897 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.99 -31.69 71.58 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -179.242 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.59 -42.96 93.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.951 . . . . 0.0 112.659 163.642 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -62.53 -39.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.148 -0.97 . . . . 0.0 110.26 174.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.2 77.39 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.502 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -70.08 -47.71 60.77 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 123.873 0.869 . . . . 0.0 112.7 175.039 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -58.55 -44.07 89.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.549 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -68.89 -36.58 78.24 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.188 -0.945 . . . . 0.0 112.091 179.376 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -31.45 72.08 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.111 0.964 . . . . 0.0 110.245 172.447 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -60.7 -70.68 0.16 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.477 -0.764 . . . . 0.0 112.371 172.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -59.16 -31.3 68.85 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.185 -0.947 . . . . 0.0 112.71 -176.683 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -75.61 142.95 42.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.185 -0.947 . . . . 0.0 112.675 -173.117 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -160.5 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.217 -0.927 . . . . 0.0 109.91 154.858 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.91 -56.58 4.61 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.171 -0.956 . . . . 0.0 113.107 -170.138 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.22 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 157.449 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -34.35 -34.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.629 1.172 . . . . 0.0 112.8 166.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.15 -66.44 0.08 OUTLIER Glycine 0 CA--C 1.57 3.494 0 O-C-N 121.013 -1.054 . . . . 0.0 115.369 167.511 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 mtm-85 -93.21 167.59 11.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.069 -1.253 . . . . 0.0 114.163 -154.198 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.962 HG23 ' HB2' ' B' ' 62' ' ' GLU . 21.4 mt -109.05 138.72 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 C-N-CA 124.013 0.925 . . . . 0.0 110.311 -169.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -130.08 179.64 5.76 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.033 -1.042 . . . . 0.0 112.884 174.543 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.54 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -55.8 -39.9 71.97 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.702 -1.249 . . . . 0.0 112.208 -154.506 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.71 -76.73 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.717 -1.239 . . . . 0.0 113.584 163.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.962 ' HB2' HG23 ' B' ' 58' ' ' ILE . 2.9 mm-40 -32.36 -47.42 0.15 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 169.069 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.404 ' HE1' ' CD2' ' A' ' 14' ' ' PHE . 63.7 t80 -54.21 -43.03 70.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.087 -1.008 . . . . 0.0 112.199 179.539 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.415 HD23 HD22 ' A' ' 7' ' ' LEU . 32.8 mt -66.08 -41.21 91.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.235 -0.916 . . . . 0.0 111.772 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -75.89 -39.4 56.48 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.209 -0.932 . . . . 0.0 109.312 -176.198 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 33.4 ttp -68.08 -22.9 64.89 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 174.138 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 6.0 tpt -74.56 -38.3 62.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.187 -0.946 . . . . 0.0 110.545 171.468 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 . . . . . 0 N--CA 1.497 1.903 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.096 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.936 0 CA-C-O 121.099 0.476 . . . . 0.0 111.933 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.71 -57.55 10.41 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 167.255 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.67 -33.75 68.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -175.096 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.671 HD12 ' CD2' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -74.15 -28.05 61.13 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.213 1.005 . . . . 0.0 111.746 171.921 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.03 17.18 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 168.626 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -45.21 -49.09 12.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.278 -0.888 . . . . 0.0 113.24 164.554 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.24 79.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 175.215 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.742 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 79.4 t80 -69.95 -44.02 70.39 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.296 -0.877 . . . . 0.0 112.185 -178.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -56.85 -51.3 69.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.189 -0.944 . . . . 0.0 112.885 164.041 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.69 -29.27 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 C-N-CA 123.819 0.848 . . . . 0.0 110.327 -169.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.73 -53.62 12.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.299 -0.876 . . . . 0.0 110.408 177.609 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.28 124.36 24.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.185 -0.947 . . . . 0.0 112.76 -165.031 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -61.41 -43.68 98.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.04 -1.037 . . . . 0.0 109.173 -164.553 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.16 -42.52 6.67 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -173.173 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.4 66.04 0.08 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 156.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -11.9 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.015 0.926 . . . . 0.0 112.891 154.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.41 27.7 1.43 Allowed Glycine 0 CA--C 1.571 3.564 0 O-C-N 120.723 -1.236 . . . . 0.0 115.07 166.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -116.45 164.06 15.13 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -1.089 . . . . 0.0 111.643 166.673 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.907 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.3 mt -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.029 -1.044 . . . . 0.0 110.236 156.348 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.18 167.69 9.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.044 -1.035 . . . . 0.0 112.717 175.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -72.68 -9.67 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 123.885 0.874 . . . . 0.0 110.483 176.75 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -41.12 23.14 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.519 -1.363 . . . . 0.0 113.564 170.061 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.907 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -72.92 -43.59 62.21 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.79 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 tt -68.11 -44.01 77.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.224 -0.923 . . . . 0.0 111.877 -161.813 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.96 -54.72 17.39 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.2 -0.938 . . . . 0.0 115.168 166.608 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -51.75 -41.63 61.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.303 -1.116 . . . . 0.0 113.87 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -60.57 -63.67 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.253 -0.904 . . . . 0.0 110.217 173.484 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.2 -5.86 0.54 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.131 -0.981 . . . . 0.0 111.608 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -75.9 0.58 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.202 -0.936 . . . . 0.0 110.792 165.372 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -160.096 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.09 -27.49 65.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -171.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -72.65 -46.46 53.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.228 -0.92 . . . . 0.0 112.699 171.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mm -61.56 -32.3 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.203 -0.936 . . . . 0.0 110.219 174.274 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -38.2 86.62 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.793 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.26 -29.39 68.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.359 -0.838 . . . . 0.0 112.665 170.559 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.0 -51.88 49.54 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 172.059 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.464 ' HG2' HG12 ' A' ' 24' ' ' ILE . 12.8 tpt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.895 -1.128 . . . . 0.0 112.024 -175.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -83.15 -31.26 27.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.271 -0.893 . . . . 0.0 109.932 -177.598 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.27 -41.89 84.77 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.23 -0.919 . . . . 0.0 112.483 171.284 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.7 m -62.95 -32.19 73.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.255 -0.903 . . . . 0.0 112.893 167.641 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -69.01 151.25 46.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.248 -0.908 . . . . 0.0 112.647 -177.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.7 -84.22 0.66 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.958 -1.089 . . . . 0.0 110.26 175.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -78.71 18.56 0.58 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.486 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.5 m120 72.18 36.5 1.09 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.808 1.243 . . . . 0.0 113.162 169.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.11 74.58 1.75 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.159 0.984 . . . . 0.0 112.706 154.367 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -39.15 -22.43 0.02 OUTLIER Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.142 -0.974 . . . . 0.0 115.138 167.593 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -125.72 151.38 46.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.217 -1.166 . . . . 0.0 113.949 175.755 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.951 HG23 ' HB2' ' B' ' 62' ' ' GLU . 56.6 mt -112.41 148.0 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.223 -0.923 . . . . 0.0 110.518 -167.246 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -121.12 -169.11 1.78 Allowed 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 124.225 1.01 . . . . 0.0 112.794 171.608 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.86 -42.24 97.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.841 -1.162 . . . . 0.0 112.237 -173.409 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.74 -78.49 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.704 0 O-C-N 120.738 -1.226 . . . . 0.0 113.623 167.287 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.951 ' HB2' HG23 ' B' ' 58' ' ' ILE . 3.8 mm-40 -33.25 -40.84 0.07 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 171.479 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.742 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 2.3 t80 -57.19 -50.76 71.85 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.818 -1.177 . . . . 0.0 112.067 176.653 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.671 ' CD2' HD12 ' A' ' 7' ' ' LEU . 58.6 mt -65.1 -22.89 67.01 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.293 -0.879 . . . . 0.0 111.755 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -87.36 -40.09 14.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.109 -0.994 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -21.67 28.5 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 167.243 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.18 -82.47 0.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.196 -0.94 . . . . 0.0 110.553 162.23 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.495 1.818 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -165.521 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.5 mt-10 . . . . . 0 N--CA 1.498 1.929 0 CA-C-O 121.172 0.51 . . . . 0.0 111.848 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.6 tt0 -50.39 -46.25 56.01 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.113 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.21 -30.75 15.04 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -168.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -72.18 -15.66 61.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.162 -0.961 . . . . 0.0 111.755 162.581 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -72.25 -59.66 2.62 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.192 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -40.28 -57.06 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.95 0.9 . . . . 0.0 113.238 161.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.1 76.45 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.324 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.785 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 16.2 t80 -76.31 -30.02 57.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.276 -0.89 . . . . 0.0 112.131 -172.519 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -83.32 -31.24 26.94 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.171 -0.956 . . . . 0.0 112.922 176.647 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.99 -36.59 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.257 1.023 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -61.57 -42.44 98.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.386 -0.821 . . . . 0.0 110.394 173.175 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -73.07 127.85 33.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.2 -0.938 . . . . 0.0 112.824 -173.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.4 -44.82 34.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.113 -0.992 . . . . 0.0 109.333 178.854 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.78 -23.06 15.11 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -162.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.44 44.05 7.48 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 163.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -78.94 -19.67 51.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.236 -0.915 . . . . 0.0 112.717 154.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.17 -22.54 3.98 Favored Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.534 0.974 . . . . 0.0 115.534 -177.016 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -114.7 162.12 17.24 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -1.195 . . . . 0.0 111.694 -156.464 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.62 ' CD1' ' HE1' ' A' ' 11' ' ' PHE . 64.1 mt -109.95 143.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 124.078 0.951 . . . . 0.0 110.263 168.713 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -102.46 157.89 16.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.107 -0.996 . . . . 0.0 112.664 175.036 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.466 HD13 ' CG ' ' B' ' 47' ' ' MET . 0.3 OUTLIER -52.01 -30.46 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.434 -0.792 . . . . 0.0 110.08 177.638 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.17 -30.88 43.71 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -174.52 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -73.46 -27.53 61.46 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.376 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD21 HD12 ' B' ' 43' ' ' ILE . 9.7 tt -42.85 -61.97 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.347 -0.846 . . . . 0.0 111.942 177.804 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.16 -30.65 77.25 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.04 -1.037 . . . . 0.0 115.082 -170.012 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.2 -30.69 49.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.267 -1.137 . . . . 0.0 113.895 171.403 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.03 -58.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.252 -0.905 . . . . 0.0 110.215 168.491 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -50.2 70.62 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.23 -0.919 . . . . 0.0 111.222 176.062 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -84.62 -41.75 16.06 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.236 -0.915 . . . . 0.0 110.851 -159.903 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -156.297 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 . . . . . 0 N--CA 1.497 1.887 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -66.51 -36.19 82.11 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -167.388 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.16 -49.33 78.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.204 -0.935 . . . . 0.0 112.656 167.204 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 27' ' ' LEU . 4.0 mm -64.28 -34.25 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 179.391 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -39.94 91.92 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 174.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -63.3 -35.36 80.09 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.335 -0.853 . . . . 0.0 112.641 169.528 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.55 -53.76 14.8 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.162 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.517 ' HE1' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -96.78 14.99 23.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.852 -1.155 . . . . 0.0 112.107 -174.037 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -112.14 -30.09 7.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 163.315 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -67.45 -63.73 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.867 -1.146 . . . . 0.0 112.459 166.135 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 58.1 m -67.34 -29.47 69.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.121 -0.987 . . . . 0.0 112.882 -178.2 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -82.67 72.34 9.74 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.153 -0.967 . . . . 0.0 112.709 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -67.15 0.56 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -167.562 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.32 9.02 3.46 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -159.43 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 59.37 51.11 6.97 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.036 -1.04 . . . . 0.0 113.303 -169.464 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 67.55 2.1 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.055 0.942 . . . . 0.0 112.668 154.513 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.66 -17.98 1.55 Allowed Glycine 0 CA--C 1.571 3.557 0 O-C-N 121.197 -0.939 . . . . 0.0 115.206 -168.062 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -104.35 138.99 39.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.113 -1.228 . . . . 0.0 113.849 171.512 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.636 HG23 ' CB ' ' B' ' 62' ' ' GLU . 69.8 mt -109.26 141.76 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.078 -1.014 . . . . 0.0 110.207 -160.69 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -110.06 -174.38 2.48 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.012 -1.055 . . . . 0.0 112.85 -178.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.785 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 61.7 t80 -65.0 -42.65 94.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.983 -1.073 . . . . 0.0 112.068 -172.221 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.95 -79.19 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.678 -1.264 . . . . 0.0 113.605 163.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.636 ' CB ' HG23 ' B' ' 58' ' ' ILE . 37.5 mt-10 -35.59 -34.19 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 172.6 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 1.9 t80 -58.69 -49.3 78.06 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.516 -1.365 . . . . 0.0 111.817 174.268 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.13 -28.15 68.9 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 123.836 0.854 . . . . 0.0 111.866 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.68 -37.7 24.45 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.063 -1.023 . . . . 0.0 109.32 174.127 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -59.73 -66.69 0.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 174.728 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 tpt -48.65 -67.94 0.23 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 110.578 168.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -162.798 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.935 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -52.12 4.0 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -169.383 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -83.5 -21.86 32.68 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -168.421 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.647 HD12 HD23 ' B' ' 64' ' ' LEU . 0.7 OUTLIER -85.58 -21.38 28.53 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.383 1.073 . . . . 0.0 111.788 172.548 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.835 ' HB2' ' CE2' ' B' ' 60' ' ' PHE . . . -78.63 -52.73 8.03 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 167.355 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -39.33 -49.21 1.96 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.223 -0.923 . . . . 0.0 113.181 161.368 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.93 82.49 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 171.918 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.919 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 29.5 t80 -75.3 -26.98 59.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.0 112.028 -174.15 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -6.32 39.29 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 123.928 0.891 . . . . 0.0 113.049 172.847 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -79.73 -31.77 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 C-N-CA 124.26 1.024 . . . . 0.0 110.203 167.222 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.796 ' HD2' HD13 ' A' ' 30' ' ' ILE . 2.8 m-30 -62.59 -70.68 0.19 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.999 0.92 . . . . 0.0 110.491 170.238 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -62.44 118.57 7.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.148 -0.97 . . . . 0.0 112.782 -165.253 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HG3' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.79 -32.84 60.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.013 -1.054 . . . . 0.0 109.185 -169.184 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -107.81 -32.79 7.47 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -167.907 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 68.14 47.19 1.05 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.18 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.85 6.52 4.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.214 -0.929 . . . . 0.0 112.852 154.422 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.449 ' O ' ' HE1' ' A' ' 11' ' ' PHE . . . 98.42 -8.7 62.45 Favored Glycine 0 CA--C 1.571 3.543 0 O-C-N 120.565 -1.335 . . . . 0.0 115.304 162.639 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.779 ' HD2' ' HD3' ' B' ' 57' ' ' ARG . 6.8 m-30 -122.68 170.08 10.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -1.214 . . . . 0.0 111.752 -173.681 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.919 HD13 ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -109.02 151.9 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 124.46 1.104 . . . . 0.0 110.254 163.397 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.28 166.03 18.55 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.013 -1.054 . . . . 0.0 112.715 -175.818 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 tt -68.13 -29.64 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.211 -0.931 . . . . 0.0 110.177 -175.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -76.8 -30.8 56.6 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.463 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.567 ' OE2' ' HG3' ' A' ' 16' ' ' LYS . 93.5 mt-10 -78.2 -29.22 48.29 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.874 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -53.46 -55.45 25.17 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.305 1.042 . . . . 0.0 111.974 -169.022 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.62 -48.06 17.51 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.141 -0.974 . . . . 0.0 115.135 174.042 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.48 -19.42 55.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.232 -1.158 . . . . 0.0 113.879 179.151 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.796 HD13 ' HD2' ' A' ' 14' ' ' PHE . 16.4 mt -60.96 -49.04 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 166.657 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.96 -41.52 71.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.169 -0.957 . . . . 0.0 111.339 168.606 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 8.1 ptm180 -127.55 41.23 3.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.407 -0.808 . . . . 0.0 110.798 -170.738 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.497 1.889 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 169.934 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.62 -28.81 68.05 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -168.506 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.55 -46.93 87.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.215 -0.928 . . . . 0.0 112.68 164.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -58.97 -53.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.265 -0.897 . . . . 0.0 110.166 -176.009 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.37 70.37 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.341 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -57.58 -35.48 70.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 162.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -76.52 -50.69 13.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . 0.405 ' CE ' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -59.56 -28.48 67.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.88 -1.138 . . . . 0.0 112.075 173.651 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -92.15 -9.96 40.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.352 -0.842 . . . . 0.0 110.606 178.273 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.05 -51.58 52.9 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.199 -1.563 . . . . 0.0 112.409 157.931 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.9 m -100.56 -27.04 13.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.114 -0.992 . . . . 0.0 112.898 -157.246 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -58.27 120.61 9.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.259 -0.9 . . . . 0.0 112.706 166.152 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.04 -1.038 . . . . 0.0 109.939 165.086 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -64.46 -7.38 9.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.148 -0.97 . . . . 0.0 113.248 -163.31 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.79 41.79 24.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.241 -0.912 . . . . 0.0 113.276 164.123 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -89.5 -22.53 22.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.284 -0.885 . . . . 0.0 112.723 159.59 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.75 39.41 4.96 Favored Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.064 -1.022 . . . . 0.0 115.111 169.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.779 ' HD3' ' HD2' ' A' ' 21' ' ' TYR . 13.4 ttm-85 -130.55 129.77 43.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.269 -1.136 . . . . 0.0 113.77 164.012 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' B' ' 62' ' ' GLU . 67.0 mt -100.25 122.6 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.215 1.006 . . . . 0.0 110.157 -173.695 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.32 174.44 5.91 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.932 -1.105 . . . . 0.0 112.749 171.775 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.835 ' CE2' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -52.32 -33.33 42.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.923 -1.11 . . . . 0.0 112.132 -166.513 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.02 -83.96 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.812 2.244 . . . . 0.0 111.433 171.464 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.879 ' HB2' HG23 ' B' ' 58' ' ' ILE . 14.3 mm-40 -23.81 -40.17 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.7 165.733 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.707 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 14.2 t80 -61.03 -50.57 72.78 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.495 -0.753 . . . . 0.0 111.782 177.884 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.647 HD23 HD12 ' A' ' 7' ' ' LEU . 17.0 mt -57.63 -29.86 64.9 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 124.403 1.081 . . . . 0.0 111.904 175.853 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -47.54 13.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.079 -1.013 . . . . 0.0 109.392 -178.31 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.526 ' O ' ' HG2' ' B' ' 66' ' ' MET . 3.1 tmm? -75.53 -4.7 41.36 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -179.79 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.19 -41.0 5.46 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.217 -0.927 . . . . 0.0 110.557 168.525 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -162.163 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.918 0 CA-C-O 121.169 0.509 . . . . 0.0 111.847 . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -36.06 -63.66 0.36 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 170.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -72.26 -32.85 67.02 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' B' ' 64' ' ' LEU . 5.7 mp -73.23 -19.92 60.97 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.137 0.975 . . . . 0.0 111.773 171.129 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.53 ' CA ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.6 -44.12 17.69 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 174.164 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -61.99 -39.71 93.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.12 -0.988 . . . . 0.0 113.225 164.385 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.71 74.78 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.456 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.571 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 45.5 t80 -74.45 -28.29 60.97 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.045 -1.034 . . . . 0.0 112.041 -170.477 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.2 ptt180 -73.23 -40.77 64.41 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 124.018 0.927 . . . . 0.0 112.981 165.782 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 mm -64.25 -37.27 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -173.297 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -57.35 -62.47 1.75 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 110.367 172.132 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -75.33 138.02 41.51 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.174 -0.954 . . . . 0.0 112.851 -160.392 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -80.58 0.08 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.152 -0.968 . . . . 0.0 109.367 -174.436 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -75.12 -35.15 61.73 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -162.538 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.82 57.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 154.355 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -87.51 20.07 3.06 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.929 0.891 . . . . 0.0 112.736 154.549 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.87 -5.56 58.16 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.095 -1.003 . . . . 0.0 115.37 163.194 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -117.49 153.42 33.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.12 -1.224 . . . . 0.0 111.694 -169.138 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 mt -114.09 113.03 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.151 -0.968 . . . . 0.0 110.259 174.543 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -103.28 170.61 7.85 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.958 -1.089 . . . . 0.0 112.726 -160.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -27.57 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.241 -0.912 . . . . 0.0 110.193 -178.58 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.92 -38.13 46.21 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.75 ' O ' HD13 ' A' ' 30' ' ' ILE . 15.1 mt-10 -80.78 -27.36 36.71 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -177.225 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.947 HD23 HG23 ' B' ' 43' ' ' ILE . 12.0 tp -48.63 -60.67 2.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.287 -0.883 . . . . 0.0 111.929 177.771 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -24.55 60.08 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 121.141 -0.974 . . . . 0.0 115.096 174.843 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -66.24 -46.27 77.73 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.262 -1.14 . . . . 0.0 113.872 164.109 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.85 -54.38 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 177.747 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' A' ' 32' ' ' ARG . 3.2 pp -70.05 -33.16 71.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.142 -0.974 . . . . 0.0 111.757 175.796 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.755 ' HB2' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -123.68 47.98 1.94 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.149 -0.97 . . . . 0.0 110.781 -176.668 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 161.637 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' B' ' 44' ' ' GLU . 11.5 mt-10 -66.07 -19.56 65.89 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -88.57 -36.35 16.39 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.249 -0.907 . . . . 0.0 112.666 171.989 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.947 HG23 HD23 ' A' ' 27' ' ' LEU . 1.8 mp -59.52 -34.99 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.125 -0.984 . . . . 0.0 110.166 161.788 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 41' ' ' GLU . 0.3 OUTLIER -69.91 -33.44 72.18 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.54 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -62.89 -53.82 48.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.164 -0.96 . . . . 0.0 112.639 170.486 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tp -52.05 -53.29 43.88 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.111 -0.993 . . . . 0.0 113.677 174.336 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -1.69 54.6 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.706 -1.246 . . . . 0.0 112.144 -161.241 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -102.93 -18.41 15.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.176 -0.953 . . . . 0.0 110.475 164.531 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.99 -79.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.461 -1.4 . . . . 0.0 112.42 158.142 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -61.51 -20.46 63.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.146 -0.971 . . . . 0.0 112.849 -170.837 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -69.63 131.21 44.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.247 -0.908 . . . . 0.0 112.64 162.162 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -74.18 0.66 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.936 176.752 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 53' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' B' ' 55' ' ' ASP . 2.2 p-10 -76.31 1.56 15.8 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.985 -1.072 . . . . 0.0 113.57 -171.212 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 m120 61.07 41.0 14.38 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.983 -1.073 . . . . 0.0 113.266 -179.224 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.406 ' HB3' HD21 ' B' ' 53' ' ' ASN . 4.9 p-10 -86.67 63.9 8.22 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.259 -0.9 . . . . 0.0 112.691 154.551 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.42 -32.86 2.88 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.295 -0.878 . . . . 0.0 115.237 -162.216 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.14 123.17 28.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.205 -1.174 . . . . 0.0 113.881 -177.348 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . 0.892 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.9 mt -99.91 134.15 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.1 -1.0 . . . . 0.0 110.148 -159.686 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -104.87 -169.61 1.64 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.114 -0.992 . . . . 0.0 112.79 167.844 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.53 ' HE2' ' CA ' ' A' ' 8' ' ' ALA . 6.2 t80 -71.24 -37.67 71.99 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.877 -1.139 . . . . 0.0 112.233 -166.326 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.725 -1.235 . . . . 0.0 113.741 164.808 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.892 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.7 mm-40 -35.05 -39.04 0.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 167.714 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 63' ' ' PHE . . . . . 0.571 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 27.4 t80 -59.07 -41.59 88.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.697 -1.252 . . . . 0.0 111.996 177.463 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.726 ' CD2' HD22 ' A' ' 7' ' ' LEU . 44.9 mt -70.2 -31.91 69.58 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.928 0.891 . . . . 0.0 111.755 178.885 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -87.7 -12.32 45.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.134 -0.979 . . . . 0.0 109.362 177.294 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 66' ' ' MET . . . . . 0.782 ' HE2' HD13 ' B' ' 58' ' ' ILE . 2.1 ttp -86.89 -62.45 1.5 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 172.479 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.6 ttm -39.2 -33.36 0.13 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.232 -0.917 . . . . 0.0 110.538 161.432 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 170.077 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.2 mmtt -96.68 37.77 1.26 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.523 -0.736 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -103.62 -108.68 0.26 Allowed 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 123.958 0.903 . . . . 0.0 112.522 -165.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.256 0.0 OUTLIER -128.92 15.19 6.35 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.231 -0.918 . . . . 0.0 111.971 -163.359 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.635 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 3.8 tt0 -73.98 -45.29 51.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.971 -1.081 . . . . 0.0 113.848 -154.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.48 -30.91 17.94 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 -176.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -65.79 -25.58 67.31 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.028 0.931 . . . . 0.0 111.762 159.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -64.19 -71.36 0.18 Allowed 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 166.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -44.75 -37.23 3.63 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.266 -0.896 . . . . 0.0 113.281 171.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.93 -46.77 83.27 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.753 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 88.4 t80 -72.09 -29.48 64.15 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 123.804 0.842 . . . . 0.0 112.084 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -79.93 -35.82 37.2 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.172 -0.955 . . . . 0.0 112.974 172.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -61.84 -35.88 70.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.181 -0.95 . . . . 0.0 110.298 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -69.52 -42.55 74.52 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.24 -0.913 . . . . 0.0 110.427 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -71.65 135.0 46.72 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.262 -0.899 . . . . 0.0 112.805 -164.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -68.96 -76.47 0.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.202 -0.936 . . . . 0.0 109.302 -172.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 4.4 m-80 -104.86 -20.87 13.44 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 -170.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 81.59 54.26 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 157.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -73.64 -20.96 60.44 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.274 -0.891 . . . . 0.0 112.731 155.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.47 -5.52 5.91 Favored Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.143 -0.973 . . . . 0.0 115.401 165.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -114.24 164.85 13.33 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.177 -1.19 . . . . 0.0 111.704 -168.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.83 139.14 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 C-N-CA 123.902 0.881 . . . . 0.0 110.19 166.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -117.81 162.08 18.67 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.119 0.968 . . . . 0.0 112.684 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -62.6 -25.76 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.225 -0.922 . . . . 0.0 110.276 -177.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -75.35 -36.27 61.03 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.979 -1.076 . . . . 0.0 113.783 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.529 ' O ' HD12 ' A' ' 30' ' ' ILE . 88.2 mt-10 -67.85 -33.24 74.37 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 171.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 30' ' ' ILE . 1.0 OUTLIER -69.97 -45.29 67.68 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.164 -0.96 . . . . 0.0 111.833 -158.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.15 21.09 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.144 -0.972 . . . . 0.0 115.128 163.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.42 -30.18 70.49 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.304 -1.115 . . . . 0.0 113.884 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 26' ' ' GLU . 4.3 mp -58.53 -54.66 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.226 -0.921 . . . . 0.0 110.237 162.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.672 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -73.72 6.96 2.76 Favored 'General case' 0 CA--C 1.574 1.882 0 O-C-N 121.146 -0.972 . . . . 0.0 111.719 -177.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 -71.81 0.47 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.98 -1.075 . . . . 0.0 111.002 178.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 34' ' ' THR . . . -44.32 132.33 5.93 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -154.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 33' ' ' ALA . 24.9 p -154.25 103.42 2.53 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 124.198 0.999 . . . . 0.0 109.782 172.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.78 -8.25 1.12 Allowed Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.27 -0.894 . . . . 0.0 115.075 160.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.419 0 O-C-N 121.176 -1.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.372 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.5 p -83.21 92.68 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.12 -179.59 7.04 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.205 -0.934 . . . . 0.0 109.715 -168.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.86 -9.56 58.82 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -164.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -68.45 -39.81 81.33 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 169.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -56.9 -51.4 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.243 -0.911 . . . . 0.0 112.675 166.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.07 -41.51 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.101 -0.999 . . . . 0.0 110.163 170.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -35.69 81.63 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.3 -27.44 60.71 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.039 0.936 . . . . 0.0 112.672 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tt -77.6 -43.18 32.45 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.6 ' HE1' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -62.87 -28.08 69.79 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.105 -0.997 . . . . 0.0 112.102 167.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -88.4 -29.97 19.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.275 -0.891 . . . . 0.0 110.011 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -67.14 -55.86 12.41 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.133 -0.979 . . . . 0.0 112.455 169.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -26.82 60.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -0.964 . . . . 0.0 112.894 -173.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -77.11 163.11 26.91 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.201 -0.937 . . . . 0.0 112.675 164.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.17 -60.5 0.53 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.143 -0.973 . . . . 0.0 109.86 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -71.46 -4.6 27.42 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.7 m120 62.7 43.75 7.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.967 -1.083 . . . . 0.0 113.27 -177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -75.73 67.75 2.21 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.225 -0.922 . . . . 0.0 112.581 154.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -50.59 -6.0 0.1 OUTLIER Glycine 0 CA--C 1.572 3.618 0 N-CA-C 115.633 1.013 . . . . 0.0 115.633 -176.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.86 141.31 48.09 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.883 -1.363 . . . . 0.0 114.008 155.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.92 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.1 mt -109.66 135.97 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 C-N-CA 123.979 0.911 . . . . 0.0 110.326 -167.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -105.18 176.24 5.23 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.903 -1.123 . . . . 0.0 112.882 165.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.566 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -63.57 -24.61 67.88 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.689 -1.257 . . . . 0.0 112.138 -168.383 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -83.13 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.149 0 CA-C-O 124.998 2.332 . . . . 0.0 111.3 163.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.92 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.3 mm-40 -25.23 -39.8 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.711 0 CA-C-N 113.649 -1.614 . . . . 0.0 113.735 165.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.753 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 60.0 t80 -61.03 -49.39 77.59 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.3 -0.875 . . . . 0.0 111.808 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 24.7 mt -56.97 -32.58 66.2 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.407 1.083 . . . . 0.0 111.947 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -97.72 -37.98 9.67 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.941 -1.099 . . . . 0.0 109.692 -175.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.8 ttp -56.78 -28.69 61.7 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 167.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -75.93 -70.33 0.44 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.119 0.968 . . . . 0.0 110.597 168.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -134.52 54.03 1.96 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -94.17 25.32 22.79 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.195 -0.94 . . . . 0.0 115.123 158.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.88 133.1 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.296 -1.12 . . . . 0.0 108.542 158.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.35 106.46 0.45 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.205 -0.934 . . . . 0.0 111.96 -164.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.398 0 O-C-N 121.263 -0.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -77.53 138.32 39.12 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.554 -0.716 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -45.3 130.24 8.17 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.309 -0.869 . . . . 0.0 112.438 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.254 0.6 OUTLIER -91.63 6.85 44.19 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.265 -0.897 . . . . 0.0 112.39 164.534 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -45.14 75.03 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.396 -1.44 . . . . 0.0 113.845 -162.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -75.23 -47.65 27.13 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.02 -27.92 68.68 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -0.883 . . . . 0.0 111.765 169.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -63.04 -63.4 1.21 Allowed 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 171.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -39.25 -64.67 0.44 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.195 -0.941 . . . . 0.0 113.296 161.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.19 -30.65 38.64 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.74 ' HE1' HG13 ' A' ' 22' ' ' ILE . 13.5 t80 -75.2 -39.49 60.11 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.236 -0.915 . . . . 0.0 112.105 178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -76.46 -31.22 57.69 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.212 -0.93 . . . . 0.0 112.944 173.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mm -65.41 -41.38 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 123.998 0.919 . . . . 0.0 110.319 175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -61.09 -61.52 2.51 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.292 -0.88 . . . . 0.0 110.437 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -66.37 90.23 0.15 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.252 -0.905 . . . . 0.0 112.779 174.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -26.97 68.4 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.142 -0.974 . . . . 0.0 109.202 -161.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -86.24 -46.5 10.29 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 79.04 67.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 157.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -23.86 30.11 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.239 -0.913 . . . . 0.0 112.769 159.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.81 -23.26 1.3 Allowed Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.0 -1.062 . . . . 0.0 115.413 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -117.15 155.36 29.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.985 -1.303 . . . . 0.0 111.672 -154.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.74 HG13 ' HE1' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -104.77 153.47 6.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.049 -1.032 . . . . 0.0 110.236 158.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -115.09 167.78 10.52 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.198 -0.939 . . . . 0.0 112.651 172.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -26.45 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.205 -0.935 . . . . 0.0 110.279 175.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -72.29 -33.22 67.26 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.989 -1.07 . . . . 0.0 113.74 177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.37 -28.75 41.94 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tt -66.31 -44.29 83.82 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.162 -0.961 . . . . 0.0 111.873 -165.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.66 -39.21 30.06 Favored Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.098 -1.001 . . . . 0.0 115.08 -177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -64.24 -40.54 96.23 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.237 -1.155 . . . . 0.0 113.905 174.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.3 mm -53.93 -66.74 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.22 -0.925 . . . . 0.0 110.235 165.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -68.18 -17.61 64.38 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.109 -0.995 . . . . 0.0 111.717 -164.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.748 ' HG3' HG21 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -104.44 -26.13 12.53 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.189 -0.944 . . . . 0.0 110.816 -175.138 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.61 131.68 39.02 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.2 p -142.51 -56.26 0.44 Allowed 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.092 0.957 . . . . 0.0 109.811 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -123.61 -84.21 0.64 Allowed Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.179 -0.951 . . . . 0.0 115.147 -163.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.399 0 O-C-N 121.241 -1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.355 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.748 HG21 ' HG3' ' A' ' 32' ' ' ARG . 0.4 OUTLIER -152.44 128.67 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 8.9 p -134.12 174.92 9.97 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.155 -0.966 . . . . 0.0 109.757 167.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -34.69 75.48 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 175.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -61.59 -32.06 72.15 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -75.61 -47.36 26.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.28 -0.888 . . . . 0.0 112.704 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -56.23 -42.91 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 120.975 -1.078 . . . . 0.0 110.114 169.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -33.3 75.69 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.72 -51.52 69.01 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.277 -0.89 . . . . 0.0 112.684 168.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.49 ' C ' HD23 ' B' ' 46' ' ' LEU . 5.2 tt -50.47 -53.72 27.65 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.076 -1.015 . . . . 0.0 113.662 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 2.0 tpp -65.64 -53.77 36.92 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.795 -1.19 . . . . 0.0 112.057 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -33.83 71.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.228 -0.92 . . . . 0.0 110.037 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -67.37 -33.31 74.95 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.516 -0.74 . . . . 0.0 112.449 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.61 20.62 17.62 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.259 -0.901 . . . . 0.0 112.895 168.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -82.73 115.48 21.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.139 -0.976 . . . . 0.0 112.669 172.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -59.83 -141.77 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.113 -0.992 . . . . 0.0 109.93 156.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -71.29 -56.43 6.03 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.236 -0.915 . . . . 0.0 113.219 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 68.31 122.38 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 167.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -85.58 43.82 1.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.127 -0.983 . . . . 0.0 112.578 154.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.03 53.56 Favored Glycine 0 CA--C 1.572 3.615 0 N-CA-C 115.32 0.888 . . . . 0.0 115.32 157.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -144.98 153.31 41.37 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.129 -1.218 . . . . 0.0 114.083 -156.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.9 HG23 ' HB2' ' B' ' 62' ' ' GLU . 46.0 mt -109.82 137.44 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 C-N-CA 123.903 0.881 . . . . 0.0 110.3 -165.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -112.24 178.28 4.36 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.952 -1.092 . . . . 0.0 112.833 176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.415 ' CD1' ' CD2' ' A' ' 11' ' ' PHE . 2.0 t80 -57.33 -34.4 68.71 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.115 -0.991 . . . . 0.0 112.017 -166.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -84.31 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.963 2.315 . . . . 0.0 111.436 171.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.9 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.5 mt-10 -25.03 -36.17 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 125.65 1.58 . . . . 0.0 113.875 167.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.644 ' HD2' ' CD1' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -61.32 -57.96 10.2 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.236 -0.915 . . . . 0.0 111.889 173.14 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -56.67 -20.38 21.21 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.065 0.946 . . . . 0.0 111.796 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.28 -55.78 4.14 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.18 -0.95 . . . . 0.0 109.497 171.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttm -45.23 -39.52 6.45 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 mmt -75.49 -98.39 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 110.589 162.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -75.51 2.3 11.98 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -163.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -55.05 111.45 2.25 Favored Glycine 0 CA--C 1.571 3.577 0 O-C-N 120.987 -1.071 . . . . 0.0 115.106 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 73.9 t -70.35 138.94 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.234 -1.157 . . . . 0.0 108.504 169.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.79 -88.16 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.228 -0.92 . . . . 0.0 111.924 168.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.418 0 O-C-N 121.217 -0.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.354 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -68.04 126.82 30.71 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.804 0.842 . . . . 0.0 109.997 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 p -164.65 -148.98 0.12 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.286 -0.884 . . . . 0.0 112.359 161.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 2.2 pt-20 -62.52 -7.25 4.3 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.218 -0.926 . . . . 0.0 112.418 165.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.665 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.7 tt0 -37.13 -54.33 1.0 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -176.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.93 -35.35 13.37 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -162.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.52 HD22 HD21 ' B' ' 64' ' ' LEU . 5.2 mp -66.78 -13.32 61.34 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 124.042 0.937 . . . . 0.0 111.789 157.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -79.56 -54.88 5.46 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 166.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -48.24 -46.97 36.17 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.318 -0.864 . . . . 0.0 113.247 164.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -64.35 -46.26 84.22 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 1.4 t80 -67.58 -35.53 79.17 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.281 -0.887 . . . . 0.0 112.169 -177.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 mtp85 -65.75 -36.71 84.33 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.16 -0.962 . . . . 0.0 112.919 167.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.37 -32.1 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.451 1.1 . . . . 0.0 110.23 -169.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.76 ' CE2' HG23 ' A' ' 30' ' ' ILE . 54.1 m-85 -60.67 -78.27 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 162.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.06 149.36 27.92 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.1 0.96 . . . . 0.0 112.816 -162.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 7.2 mmtp -64.92 -40.68 95.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.1 -1.0 . . . . 0.0 109.226 -165.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.492 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 2.0 t-20 -119.92 -37.16 3.14 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.517 1.302 . . . . 0.0 114.517 -162.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.61 45.51 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.58 -11.46 59.87 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 123.938 0.895 . . . . 0.0 112.947 159.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.535 ' O ' ' HD1' ' A' ' 21' ' ' TYR . . . 100.36 25.02 9.04 Favored Glycine 0 CA--C 1.571 3.581 0 O-C-N 120.872 -1.142 . . . . 0.0 115.297 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.535 ' HD1' ' O ' ' A' ' 20' ' ' GLY . 11.5 m-30 -119.82 167.05 12.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.213 -1.169 . . . . 0.0 111.674 163.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 mt -126.13 146.72 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.156 -0.965 . . . . 0.0 110.219 161.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -119.45 169.05 10.38 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.096 -1.002 . . . . 0.0 112.697 -174.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -38.12 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.226 -0.921 . . . . 0.0 110.23 -177.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.02 -36.51 72.43 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.761 ' O ' HD13 ' A' ' 30' ' ' ILE . 80.0 mt-10 -80.87 -20.71 41.67 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.9 -55.94 21.63 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.253 -0.904 . . . . 0.0 111.831 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -20.35 -64.4 0.01 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.179 -0.95 . . . . 0.0 115.224 156.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -63.53 -33.06 74.76 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.305 -1.114 . . . . 0.0 113.9 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.761 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.23 -49.55 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.143 -0.973 . . . . 0.0 110.202 168.157 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -46.78 -34.97 5.72 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.314 -0.866 . . . . 0.0 111.358 168.002 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.33 -52.33 8.78 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.34 -0.85 . . . . 0.0 110.794 -171.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.5 131.26 40.4 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.557 HG22 ' N ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -135.02 -63.18 0.7 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.264 -0.898 . . . . 0.0 109.887 -167.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.557 ' N ' HG22 ' A' ' 34' ' ' THR . . . 145.19 -167.34 27.38 Favored Glycine 0 CA--C 1.571 3.569 0 O-C-N 121.203 -0.936 . . . . 0.0 115.125 -157.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.401 0 O-C-N 121.223 -1.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.344 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 51.0 t -128.45 84.56 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.574 ' O ' HD12 ' B' ' 43' ' ' ILE . 0.3 OUTLIER -151.53 166.06 32.33 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.157 -0.964 . . . . 0.0 109.72 -174.264 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.06 -20.8 65.0 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 174.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.44 -33.96 76.87 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 175.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.88 -30.36 40.19 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.229 -0.919 . . . . 0.0 112.658 174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.574 HD12 ' O ' ' B' ' 39' ' ' THR . 1.9 mp -58.95 -43.92 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.216 -0.927 . . . . 0.0 110.149 165.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -46.52 72.51 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.472 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -62.51 -37.83 87.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.475 -0.766 . . . . 0.0 112.655 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.3 -45.43 84.39 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.3 ttt -89.97 6.3 42.76 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.129 -0.982 . . . . 0.0 112.254 -175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.495 ' HE3' ' HB2' ' B' ' 48' ' ' LYS . 0.1 OUTLIER -94.47 -36.28 11.94 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.075 0.95 . . . . 0.0 110.029 155.326 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -67.5 -71.15 0.22 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.573 -0.704 . . . . 0.0 112.472 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.1 m -74.58 16.6 0.26 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.232 -0.917 . . . . 0.0 113.0 175.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.33 130.55 39.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.183 -0.948 . . . . 0.0 112.715 172.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.99 -128.78 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.121 -0.987 . . . . 0.0 109.809 154.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -70.36 -44.56 67.85 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.919 -1.113 . . . . 0.0 113.329 167.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m120 46.12 95.2 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.085 -1.01 . . . . 0.0 113.34 -155.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -68.59 -31.85 71.32 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.155 -0.965 . . . . 0.0 112.678 162.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.48 -56.37 0.02 OUTLIER Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.215 -0.928 . . . . 0.0 115.18 161.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -125.97 -175.62 3.4 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.298 -1.119 . . . . 0.0 113.916 -170.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.983 HG23 ' HB2' ' B' ' 62' ' ' GLU . 21.8 mt -108.34 144.6 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 C-N-CA 123.85 0.86 . . . . 0.0 110.262 -173.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p30 -117.07 -168.88 1.55 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.239 1.016 . . . . 0.0 112.773 163.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.55 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -65.49 -30.59 71.38 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.089 -1.007 . . . . 0.0 112.098 -173.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.45 -83.35 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.155 0 CA-C-O 124.939 2.304 . . . . 0.0 111.417 165.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.983 ' HB2' HG23 ' B' ' 58' ' ' ILE . 6.3 mm-40 -24.62 -39.76 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.65 -1.614 . . . . 0.0 113.635 165.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 59.8 t80 -62.34 -49.65 74.76 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.412 -0.805 . . . . 0.0 112.069 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.52 HD21 HD22 ' A' ' 7' ' ' LEU . 30.9 mt -58.12 -41.74 84.26 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.288 1.035 . . . . 0.0 111.782 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -77.6 -29.55 51.97 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.016 -1.053 . . . . 0.0 109.362 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -83.35 -48.45 10.38 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.54 -19.46 64.5 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.164 -0.96 . . . . 0.0 110.465 172.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.48 -58.42 3.52 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 162.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.6 -147.24 11.19 Favored Glycine 0 CA--C 1.571 3.574 0 O-C-N 121.086 -1.008 . . . . 0.0 115.093 157.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -117.18 148.87 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 121.228 -1.16 . . . . 0.0 108.495 -173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.85 99.87 7.74 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.187 -0.946 . . . . 0.0 111.859 -159.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.387 0 O-C-N 121.235 -0.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 mmmt -89.39 44.08 1.19 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.501 -0.749 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -96.13 84.51 3.81 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.226 -0.921 . . . . 0.0 112.386 -164.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 4.6 pt-20 -126.43 12.35 7.52 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.177 -0.952 . . . . 0.0 112.417 175.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -48.41 60.88 Favored 'General case' 0 CA--C 1.57 1.742 0 N-CA-C 114.929 1.455 . . . . 0.0 114.929 -167.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.96 -34.58 57.58 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -31.21 69.63 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.244 -0.91 . . . . 0.0 111.714 167.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.662 ' CB ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.46 -43.5 18.78 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -45.4 -52.71 9.66 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.213 -0.93 . . . . 0.0 113.196 160.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -35.15 80.23 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 114.795 1.405 . . . . 0.0 114.795 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.513 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 86.6 t80 -76.0 -28.18 57.69 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.878 0.871 . . . . 0.0 111.969 -174.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.4 ttm105 -79.35 -43.68 23.04 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.295 1.038 . . . . 0.0 112.996 165.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.89 -30.26 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.455 1.102 . . . . 0.0 110.234 -164.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.528 ' CE2' HG21 ' A' ' 30' ' ' ILE . 7.7 m-30 -56.03 -59.19 5.27 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.244 -0.91 . . . . 0.0 110.422 158.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -80.41 140.7 35.88 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.185 -0.947 . . . . 0.0 112.824 -160.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.95 7.37 11.45 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.079 -1.013 . . . . 0.0 109.996 -163.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.516 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 7.2 m-20 179.81 83.98 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.192 -1.567 . . . . 0.0 114.536 -153.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 67.08 76.19 0.29 Allowed 'General case' 0 CA--C 1.573 1.854 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -153.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -55.08 -15.18 1.95 Allowed 'General case' 0 N--CA 1.497 1.888 0 C-N-CA 123.843 0.857 . . . . 0.0 112.894 168.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -54.86 -61.76 6.99 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 120.855 -1.153 . . . . 0.0 115.142 169.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 2.0 m-30 -116.17 153.55 31.62 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.291 -1.123 . . . . 0.0 111.716 -172.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 mt -108.52 144.69 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.152 -0.968 . . . . 0.0 110.236 167.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -115.15 163.11 16.11 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.196 -0.94 . . . . 0.0 112.721 -174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.683 HD12 ' HG2' ' B' ' 47' ' ' MET . 1.1 tt -62.95 -31.11 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 110.181 -175.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.65 -30.57 41.3 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -80.38 -30.53 37.87 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.983 HD23 HD11 ' A' ' 31' ' ' LEU . 9.8 tt -46.5 -75.47 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.218 -0.926 . . . . 0.0 111.942 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.672 ' HA2' HD12 ' A' ' 31' ' ' LEU . . . -43.1 -41.07 4.61 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.155 -0.966 . . . . 0.0 115.106 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.67 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 16.1 mt-10 -72.98 -31.18 64.36 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.226 -1.161 . . . . 0.0 113.883 -176.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.528 HG21 ' CE2' ' A' ' 14' ' ' PHE . 12.8 mm -54.49 -68.39 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.211 -0.931 . . . . 0.0 110.23 159.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.983 HD11 HD23 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -62.08 -25.11 67.51 Favored 'General case' 0 CA--C 1.574 1.881 0 O-C-N 121.113 -0.992 . . . . 0.0 111.379 -162.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -117.14 -40.88 3.05 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.295 -0.878 . . . . 0.0 110.803 -170.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -99.74 130.24 45.93 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -156.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.0 t -85.41 144.45 28.0 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.224 -0.922 . . . . 0.0 109.702 170.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.21 17.67 0.07 OUTLIER Glycine 0 CA--C 1.572 3.63 0 O-C-N 121.234 -0.917 . . . . 0.0 115.057 163.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.408 0 O-C-N 121.246 -1.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . 0.537 ' C ' HG23 ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.235 0.321 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.537 HG23 ' C ' ' B' ' 37' ' ' ACE . 1.5 t 79.77 91.04 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 18.4 p -146.58 153.08 39.94 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.158 -0.964 . . . . 0.0 109.756 165.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -70.51 -15.57 62.81 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.51 -39.18 85.12 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 172.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -57.23 -47.14 82.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 170.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.4 mm -56.29 -50.63 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.094 -1.004 . . . . 0.0 110.21 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -38.17 87.0 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.141 -0.974 . . . . 0.0 113.617 -173.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -76.83 -25.68 53.47 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.145 0.978 . . . . 0.0 112.714 174.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -67.97 -45.68 73.51 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 170.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.683 ' HG2' HD12 ' A' ' 24' ' ' ILE . 1.6 ttt -91.28 15.52 11.84 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.077 -1.015 . . . . 0.0 112.117 176.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.91 -37.11 5.93 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.315 -0.866 . . . . 0.0 109.949 160.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -67.43 -45.14 76.94 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.589 -0.694 . . . . 0.0 112.432 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.1 p -77.19 -25.62 52.01 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 112.867 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -81.99 141.31 33.38 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.17 -0.956 . . . . 0.0 112.724 -154.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -166.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.224 -0.922 . . . . 0.0 109.89 157.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -72.51 -54.02 10.4 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.178 -0.951 . . . . 0.0 113.138 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 m120 71.88 127.5 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 158.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -65.7 -22.3 66.61 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.151 -0.968 . . . . 0.0 112.685 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -9.97 0.07 OUTLIER Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.182 -0.949 . . . . 0.0 115.429 156.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -136.41 163.67 29.93 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.119 -1.224 . . . . 0.0 113.815 -160.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.933 HG23 ' HB2' ' B' ' 62' ' ' GLU . 61.1 mt -102.95 155.9 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 C-N-CA 124.065 0.946 . . . . 0.0 110.197 -173.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -133.75 177.2 7.9 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.053 -1.029 . . . . 0.0 112.843 166.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.662 ' HE2' ' CB ' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -54.36 -30.03 50.38 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.03 -1.044 . . . . 0.0 111.977 -163.028 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.89 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 124.931 2.3 . . . . 0.0 111.484 168.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.933 ' HB2' HG23 ' B' ' 58' ' ' ILE . 37.9 mt-10 -28.57 -33.17 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.732 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.998 166.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.513 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 2.2 t80 -63.24 -52.21 63.07 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.744 -1.223 . . . . 0.0 111.834 173.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.28 -26.87 63.49 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.478 1.111 . . . . 0.0 111.831 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.656 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -96.78 -19.03 19.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.214 -0.929 . . . . 0.0 109.549 -179.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 24.3 ttp -78.91 -49.28 13.09 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 171.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.3 tpt -57.07 -62.6 1.64 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.268 -0.895 . . . . 0.0 110.52 162.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -116.86 9.51 13.87 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 124.554 1.141 . . . . 0.0 114.068 -157.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -98.57 173.84 27.57 Favored Glycine 0 CA--C 1.571 3.574 0 O-C-N 120.805 -1.184 . . . . 0.0 115.071 160.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.7 p -118.11 140.46 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.159 -1.2 . . . . 0.0 108.538 -162.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -50.61 121.62 6.05 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.117 -0.989 . . . . 0.0 111.909 -166.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.394 0 O-C-N 121.093 -1.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.36 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -154.66 83.79 1.1 Allowed 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 123.948 0.899 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.14 58.86 1.13 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.24 -0.913 . . . . 0.0 112.379 -173.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER -90.89 29.78 1.3 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.113 -0.992 . . . . 0.0 111.918 174.253 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -38.62 72.95 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -166.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.41 -18.06 15.54 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.771 HD22 ' HE1' ' B' ' 67' ' ' MET . 6.3 mt -69.33 -23.43 63.78 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.258 -0.901 . . . . 0.0 111.747 157.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.59 -52.8 10.79 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 165.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -50.37 -43.11 54.25 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.297 -0.877 . . . . 0.0 113.288 162.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -68.33 -31.52 71.0 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.684 1.365 . . . . 0.0 114.684 176.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.73 ' HA ' ' HE2' ' B' ' 63' ' ' PHE . 0.6 OUTLIER -75.83 -40.46 54.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.311 -0.868 . . . . 0.0 112.088 178.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -51.6 -43.7 62.58 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.211 -0.931 . . . . 0.0 112.898 161.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mm -70.83 -34.01 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 C-N-CA 124.32 1.048 . . . . 0.0 110.216 -171.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.472 ' HA ' HD11 ' A' ' 30' ' ' ILE . 3.3 m-85 -55.92 -43.75 77.63 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.205 -0.934 . . . . 0.0 110.351 163.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -70.38 167.46 18.11 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.166 -0.959 . . . . 0.0 112.766 -170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.18 -53.76 0.85 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.113 -0.992 . . . . 0.0 109.192 170.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -94.52 -21.32 18.95 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -167.045 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 77.0 54.88 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 165.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -75.81 -19.83 58.65 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.032 0.933 . . . . 0.0 112.712 160.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.46 -15.98 49.14 Favored Glycine 0 CA--C 1.571 3.583 0 N-CA-C 115.456 0.942 . . . . 0.0 115.456 -165.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -115.06 158.32 22.29 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.03 -1.277 . . . . 0.0 111.736 -163.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.481 HG13 ' CE1' ' A' ' 11' ' ' PHE . 2.8 mt -108.51 123.67 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 C-N-CA 124.168 0.987 . . . . 0.0 110.299 164.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -106.25 175.85 5.36 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.001 -1.062 . . . . 0.0 112.701 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.455 HD13 ' O ' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -63.6 -29.78 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.277 -0.889 . . . . 0.0 110.222 179.355 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.72 -34.99 58.09 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -72.51 -36.62 68.4 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 174.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.885 HD23 HD23 ' A' ' 31' ' ' LEU . 5.9 tt -79.2 -45.02 20.69 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.255 -0.903 . . . . 0.0 111.863 -155.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -60.05 -36.98 92.02 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.15 -0.969 . . . . 0.0 115.105 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.39 -34.49 54.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.256 -1.144 . . . . 0.0 113.88 177.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' A' ' 14' ' ' PHE . 4.4 mm -48.46 -70.58 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.151 -0.968 . . . . 0.0 110.184 156.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.938 HD21 HG12 ' B' ' 43' ' ' ILE . 3.6 pp -68.21 -8.98 43.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.192 -0.943 . . . . 0.0 111.696 -163.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -85.87 -49.92 7.51 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.174 -0.954 . . . . 0.0 110.871 164.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.92 -175.54 0.73 Allowed 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -161.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.8 p -40.9 -83.06 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.262 -0.899 . . . . 0.0 109.824 169.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.68 16.4 75.56 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.243 -0.91 . . . . 0.0 115.086 -169.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 O-C-N 121.265 -1.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.307 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.467 HG11 HD13 ' A' ' 31' ' ' LEU . 4.4 t 65.48 89.61 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 3.4 t -73.29 160.98 31.04 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.231 -0.918 . . . . 0.0 109.791 171.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.584 ' HA ' HD12 ' B' ' 43' ' ' ILE . 0.9 OUTLIER -70.01 -23.1 63.08 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -168.224 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -26.94 66.77 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.67 -37.38 70.78 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.305 -0.872 . . . . 0.0 112.692 168.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.938 HG12 HD21 ' A' ' 31' ' ' LEU . 5.7 mt -57.25 -56.05 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.123 -0.985 . . . . 0.0 110.153 172.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -37.27 86.35 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -66.25 -42.52 88.45 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.336 -0.852 . . . . 0.0 112.663 171.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.6 tp -71.72 -44.26 64.45 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.561 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 1.5 ttm -73.01 -13.81 61.3 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.194 -0.941 . . . . 0.0 112.02 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.29 -34.49 23.75 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.221 -0.925 . . . . 0.0 109.92 163.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -67.32 -34.6 77.69 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.487 -0.758 . . . . 0.0 112.464 -176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -82.19 -49.57 9.97 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.331 -0.855 . . . . 0.0 112.84 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -73.23 147.88 44.23 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.193 -0.942 . . . . 0.0 112.685 -164.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.79 -112.39 0.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.214 -0.928 . . . . 0.0 109.912 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -71.33 5.48 2.22 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.536 -1.352 . . . . 0.0 113.418 -161.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 70.62 76.22 0.19 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.919 -1.113 . . . . 0.0 113.246 161.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -95.6 -29.26 14.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.159 -0.963 . . . . 0.0 112.703 157.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.42 35.57 5.17 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.256 -0.903 . . . . 0.0 115.159 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -159.05 131.95 7.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.085 -1.244 . . . . 0.0 114.044 -170.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.834 HG23 ' HB2' ' B' ' 62' ' ' GLU . 79.8 mt -111.86 146.84 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.209 -0.932 . . . . 0.0 110.411 -165.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -107.14 -168.01 1.34 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.908 -1.12 . . . . 0.0 112.787 170.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.616 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 1.0 OUTLIER -68.01 -34.19 76.04 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.112 -0.993 . . . . 0.0 112.012 177.145 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.83 -83.18 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.123 0 CA-C-O 124.753 2.216 . . . . 0.0 111.69 170.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.834 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.4 mm-40 -24.23 -42.35 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.761 0 CA-C-N 113.84 -1.527 . . . . 0.0 113.615 164.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.73 ' HE2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -62.31 -46.5 88.47 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.428 -0.795 . . . . 0.0 111.939 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 23.2 mt -61.51 -40.87 96.18 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 125.018 1.327 . . . . 0.0 111.763 177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.93 -45.93 32.57 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.124 -0.985 . . . . 0.0 109.334 -179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 4.7 ttm -46.37 -58.34 3.81 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.771 ' HE1' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -91.96 -11.61 35.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.122 -0.986 . . . . 0.0 110.485 -163.003 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -73.15 0.25 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 154.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.69 -28.76 12.27 Favored Glycine 0 CA--C 1.571 3.583 0 O-C-N 121.154 -0.966 . . . . 0.0 115.117 176.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.33 151.04 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.255 -1.144 . . . . 0.0 108.559 -168.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -137.94 104.59 5.3 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.171 -0.955 . . . . 0.0 111.977 163.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.399 0 O-C-N 121.282 -0.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.364 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -154.72 101.92 2.34 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.498 -0.751 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.21 32.46 1.0 Allowed 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 123.983 0.913 . . . . 0.0 112.344 159.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 2.0 tt0 -70.02 -20.36 63.27 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.258 -0.901 . . . . 0.0 111.847 172.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.75 -32.18 65.46 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -169.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -30.92 16.17 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.81 HD12 HD23 ' B' ' 64' ' ' LEU . 0.3 OUTLIER -77.17 -19.17 57.16 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.142 0.977 . . . . 0.0 111.736 162.333 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 4' ' ' GLU . . . -65.04 -64.07 0.95 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 166.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -47.41 -38.31 13.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.317 -0.864 . . . . 0.0 113.31 166.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.533 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.31 -39.81 78.05 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 176.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.778 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 64.3 t80 -74.63 -30.33 61.6 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.957 0.903 . . . . 0.0 112.076 -178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.67 -46.51 58.69 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.343 1.057 . . . . 0.0 112.907 167.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -75.55 -31.62 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 C-N-CA 124.418 1.087 . . . . 0.0 110.236 -166.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -59.14 -49.56 77.41 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.258 -0.901 . . . . 0.0 110.435 162.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -62.67 132.64 53.0 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.214 -0.928 . . . . 0.0 112.759 -170.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -100.8 -36.58 9.04 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.133 -0.98 . . . . 0.0 109.291 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -98.25 -29.6 13.1 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -162.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 74.66 63.45 0.07 Allowed 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.821 1.415 . . . . 0.0 114.821 167.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.97 8.71 26.45 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.566 1.146 . . . . 0.0 112.628 155.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.31 25.73 72.5 Favored Glycine 0 CA--C 1.572 3.637 0 O-C-N 121.294 -0.879 . . . . 0.0 115.079 -165.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -118.21 166.3 12.76 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.332 -1.099 . . . . 0.0 111.68 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mt -128.45 125.19 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.075 -1.015 . . . . 0.0 110.241 161.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -101.27 171.83 7.36 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.111 -0.993 . . . . 0.0 112.775 -176.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -29.05 41.44 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.313 -0.867 . . . . 0.0 110.313 174.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -70.13 -29.91 66.95 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.536 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 94.2 mt-10 -76.7 -26.35 54.62 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.799 HD12 HG21 ' B' ' 43' ' ' ILE . 2.0 tm? -69.76 -40.64 75.99 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.21 -0.931 . . . . 0.0 111.784 -159.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.3 -13.25 82.99 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.178 -0.951 . . . . 0.0 115.059 167.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.5 mm-40 -78.36 -32.33 48.96 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.241 -1.152 . . . . 0.0 113.87 163.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.901 HG22 HD23 ' A' ' 31' ' ' LEU . 61.0 mt -58.6 -72.84 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.233 -0.917 . . . . 0.0 110.25 166.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.901 HD23 HG22 ' A' ' 30' ' ' ILE . 0.4 OUTLIER -61.51 -36.67 81.18 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.228 -0.92 . . . . 0.0 111.434 -174.108 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.07 10.29 8.14 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.326 -0.859 . . . . 0.0 110.768 -155.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -112.73 -176.02 2.81 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 161.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 32.7 p -74.39 -48.23 29.17 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.22 -0.925 . . . . 0.0 109.712 -171.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.17 -80.29 0.23 Allowed Glycine 0 CA--C 1.571 3.542 0 O-C-N 121.211 -0.93 . . . . 0.0 115.153 164.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.444 0 O-C-N 121.144 -1.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.31 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.26 74.13 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.7 p -99.84 171.94 7.56 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.237 -0.915 . . . . 0.0 109.795 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -65.59 -43.55 89.37 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -164.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.61 70.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -173.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -67.4 -45.68 75.47 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.245 -0.909 . . . . 0.0 112.724 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.799 HG21 HD12 ' A' ' 27' ' ' LEU . 10.0 mt -58.8 -35.06 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.137 -0.977 . . . . 0.0 110.254 172.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -35.91 68.4 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -72.63 -34.44 67.31 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.001 0.92 . . . . 0.0 112.688 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.36 -44.61 96.88 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 160.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.8 tpt -61.49 -38.87 88.87 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.137 -0.977 . . . . 0.0 112.074 177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -30.79 62.92 Favored 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 124.015 0.926 . . . . 0.0 110.18 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -66.94 -39.68 87.36 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.42 -0.8 . . . . 0.0 112.441 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.1 m -60.52 -33.13 72.2 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.157 -0.965 . . . . 0.0 112.724 166.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.93 148.19 38.39 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.16 -0.963 . . . . 0.0 112.628 -174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.7 -53.34 0.76 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.14 -0.975 . . . . 0.0 110.129 157.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -75.02 10.67 1.37 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -167.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.55 30.92 20.6 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.912 -1.117 . . . . 0.0 113.266 -179.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.33 74.74 6.95 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.261 -0.899 . . . . 0.0 112.69 155.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.91 -22.22 0.28 Allowed Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.132 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 -92.0 138.81 31.23 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.19 -1.182 . . . . 0.0 113.851 168.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.847 HG23 ' HB2' ' B' ' 62' ' ' GLU . 58.4 mt -108.76 141.59 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.073 -1.017 . . . . 0.0 110.195 -159.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 49.1 p30 -115.81 177.35 4.71 Favored 'General case' 0 N--CA 1.497 1.925 0 C-N-CA 124.238 1.015 . . . . 0.0 112.836 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -55.82 -41.94 74.97 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.795 -1.19 . . . . 0.0 112.327 -168.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -75.64 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 168.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.847 ' HB2' HG23 ' B' ' 58' ' ' ILE . 6.0 mm-40 -28.09 -48.08 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 165.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.778 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 5.5 t80 -59.43 -39.1 82.44 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.431 -0.793 . . . . 0.0 112.223 -177.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.81 HD23 HD12 ' A' ' 7' ' ' LEU . 7.1 mt -70.87 -21.47 62.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.313 -0.867 . . . . 0.0 111.777 -178.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -85.27 -42.32 14.75 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.291 -0.881 . . . . 0.0 109.314 173.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.8 ttp -56.9 -20.37 22.91 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 8.9 mmt -98.18 -65.31 0.97 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.241 -0.912 . . . . 0.0 110.545 173.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -130.82 39.95 3.54 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -172.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.01 -86.43 0.24 Allowed Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.28 -0.888 . . . . 0.0 115.084 156.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.2 134.4 57.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.272 -1.134 . . . . 0.0 108.524 -161.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.01 3.58 54.34 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.221 -0.924 . . . . 0.0 112.158 -174.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.063 -1.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.352 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.23 143.92 44.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.484 -0.76 . . . . 0.0 110.024 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.07 22.31 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.223 -0.923 . . . . 0.0 112.404 -168.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.1 OUTLIER -139.79 -32.28 0.63 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.272 -0.893 . . . . 0.0 111.822 -166.388 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -58.48 -32.98 69.28 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -85.63 -57.4 3.07 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.14 -24.66 7.36 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.13 -0.981 . . . . 0.0 111.699 168.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.62 -62.26 1.51 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -47.26 -30.25 2.94 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.263 -0.898 . . . . 0.0 113.206 164.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.83 -31.44 45.8 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.653 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 76.5 t80 -74.21 -30.31 62.13 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.288 -0.883 . . . . 0.0 112.086 176.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -53.0 40.59 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.233 -0.917 . . . . 0.0 112.933 165.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -68.36 -31.57 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 C-N-CA 124.205 1.002 . . . . 0.0 110.309 -166.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.511 ' HA ' HD11 ' A' ' 30' ' ' ILE . 4.2 m-30 -45.37 -72.95 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.254 -0.904 . . . . 0.0 110.397 162.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -67.71 145.04 55.15 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.189 -0.945 . . . . 0.0 112.803 -154.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' HD3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -62.99 -33.42 75.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.189 -0.944 . . . . 0.0 109.233 -166.074 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.6 OUTLIER -136.55 -39.41 0.65 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -166.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.11 67.07 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 158.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -66.73 -17.63 64.96 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.902 . . . . 0.0 112.786 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.488 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 106.37 17.55 12.32 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 120.986 -1.071 . . . . 0.0 115.301 -169.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.488 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.6 m-30 -117.6 166.05 12.85 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.253 -1.145 . . . . 0.0 111.625 168.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.881 HG23 ' CD ' ' A' ' 26' ' ' GLU . 96.1 mt -119.58 127.82 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.022 -1.049 . . . . 0.0 110.198 165.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.36 165.51 11.45 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.054 -1.029 . . . . 0.0 112.66 -172.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -2.43 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.217 -0.927 . . . . 0.0 110.493 172.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.93 -40.81 23.96 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.511 -1.368 . . . . 0.0 113.613 164.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.881 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -75.91 -46.92 27.5 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -172.022 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.99 HD21 HD12 ' B' ' 43' ' ' ILE . 7.1 tt -40.27 -54.78 2.31 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 125.232 1.413 . . . . 0.0 112.059 -176.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.86 -29.21 72.58 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 121.072 -1.017 . . . . 0.0 115.098 -175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 2.7 tp10 -59.89 -45.23 93.17 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.198 -1.178 . . . . 0.0 113.907 165.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 14' ' ' PHE . 20.5 mm -58.25 -59.38 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.207 -0.933 . . . . 0.0 110.226 176.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 1.041 HD12 HD11 ' B' ' 43' ' ' ILE . 0.4 OUTLIER -65.13 -37.37 87.21 Favored 'General case' 0 CA--C 1.575 1.907 0 O-C-N 121.023 -1.048 . . . . 0.0 111.428 -172.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.23 -33.87 20.6 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.335 -0.853 . . . . 0.0 110.806 -171.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.14 134.5 10.81 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.757 1.392 . . . . 0.0 114.757 166.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.5 p -78.77 -14.43 59.28 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.176 -0.953 . . . . 0.0 109.725 166.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.54 -92.78 2.17 Favored Glycine 0 CA--C 1.572 3.617 0 O-C-N 121.208 -0.933 . . . . 0.0 115.085 166.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.44 0 O-C-N 121.207 -1.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.356 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -78.53 107.68 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 4.2 p -130.12 -161.21 1.1 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.182 -0.949 . . . . 0.0 109.768 156.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.34 -31.87 73.14 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -173.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -66.61 -46.08 77.08 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -65.4 -36.41 83.87 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.227 -0.921 . . . . 0.0 112.702 168.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 1.041 HD11 HD12 ' A' ' 31' ' ' LEU . 2.4 mm -56.99 -48.68 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.12 -0.988 . . . . 0.0 110.081 170.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.11 -34.83 77.12 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -59.14 -45.83 89.93 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.31 -0.869 . . . . 0.0 112.663 168.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -72.45 -47.22 50.65 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.92 29.37 1.84 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.984 -1.072 . . . . 0.0 112.108 178.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -126.09 -35.62 2.43 Favored 'General case' 0 N--CA 1.497 1.878 0 C-N-CA 124.166 0.987 . . . . 0.0 109.991 156.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.4 -41.64 84.6 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.361 -0.837 . . . . 0.0 112.439 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 56.6 m -71.79 -39.51 69.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.245 -0.91 . . . . 0.0 112.909 162.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.49 3.29 28.94 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.188 -0.945 . . . . 0.0 112.717 -168.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -27.43 9.45 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.194 -0.941 . . . . 0.0 110.052 -169.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -76.04 17.38 0.34 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.193 -0.942 . . . . 0.0 113.229 -165.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.4 118.65 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.776 0.83 . . . . 0.0 112.758 171.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.7 t0 1.11 58.57 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.605 1.162 . . . . 0.0 112.509 -153.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.61 48.79 3.1 Favored Glycine 0 CA--C 1.572 3.641 0 C-N-CA 124.399 1.0 . . . . 0.0 114.885 169.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -9.39 140.78 0.0 OUTLIER 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 154.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.971 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.3 mt -92.97 134.24 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 C-N-CA 124.65 1.18 . . . . 0.0 110.316 -155.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -110.38 -179.76 3.86 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.013 -1.054 . . . . 0.0 112.862 171.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.76 -39.91 59.37 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.938 -1.101 . . . . 0.0 112.052 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.93 -84.14 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 125.031 2.348 . . . . 0.0 111.531 170.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.971 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.7 mt-10 -25.0 -35.86 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.718 0 C-N-CA 125.674 1.589 . . . . 0.0 113.828 167.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.653 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 3.7 t80 -61.73 -60.05 4.24 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.143 -0.973 . . . . 0.0 111.794 173.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 38.4 mt -51.75 -27.41 11.98 Favored 'General case' 0 N--CA 1.496 1.844 0 C-N-CA 124.21 1.004 . . . . 0.0 111.803 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -90.36 -45.03 9.28 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.082 -1.011 . . . . 0.0 109.482 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.07 -24.12 6.32 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 170.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -91.33 -57.33 2.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.206 -0.934 . . . . 0.0 110.561 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -61.58 -36.09 79.66 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 68.45 -176.58 27.4 Favored Glycine 0 CA--C 1.572 3.635 0 O-C-N 121.197 -0.939 . . . . 0.0 115.074 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 25.0 t -121.98 99.35 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.28 -1.129 . . . . 0.0 108.47 158.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -75.31 145.71 41.56 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.208 -0.932 . . . . 0.0 111.96 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.425 0 O-C-N 121.233 -0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.346 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -32.74 122.5 0.36 Allowed 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 123.588 0.755 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 p -105.01 15.24 28.01 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.294 -0.879 . . . . 0.0 112.357 -158.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 0.0 OUTLIER -115.44 -22.72 9.17 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.308 -0.87 . . . . 0.0 111.82 -167.479 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.674 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 47.9 tt0 -61.32 -45.6 93.76 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 164.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -76.7 -49.3 16.4 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -174.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -25.1 25.22 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.218 -0.926 . . . . 0.0 111.773 163.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.91 -50.87 53.67 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -52.77 -48.97 66.44 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.267 -0.895 . . . . 0.0 113.279 166.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.81 -33.91 69.08 Favored 'General case' 0 CA--C 1.572 1.807 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 171.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.657 ' HE1' HG13 ' A' ' 22' ' ' ILE . 20.8 t80 -75.67 -58.24 3.4 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.323 -0.861 . . . . 0.0 112.165 -178.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -42.72 -46.77 5.23 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 124.165 0.986 . . . . 0.0 112.977 163.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -69.15 -42.87 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 C-N-CA 124.234 1.014 . . . . 0.0 110.249 -169.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -59.02 -36.4 74.9 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.301 -0.874 . . . . 0.0 110.408 176.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -80.89 109.44 15.46 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.246 -0.909 . . . . 0.0 112.827 -165.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.95 -70.19 0.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.077 -1.015 . . . . 0.0 109.232 -178.731 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -97.64 -18.73 18.73 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 -161.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 77.52 69.67 0.05 Allowed 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 159.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -86.16 -19.3 30.3 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.916 0.887 . . . . 0.0 112.701 160.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.55 1.9 53.23 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.282 -0.886 . . . . 0.0 115.246 -170.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.456 ' HD2' ' NH1' ' B' ' 57' ' ' ARG . 22.9 m-30 -123.63 156.03 36.59 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.131 -1.217 . . . . 0.0 111.653 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.657 HG13 ' HE1' ' A' ' 11' ' ' PHE . 25.9 mt -106.92 146.81 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.032 -1.042 . . . . 0.0 110.275 170.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -122.7 176.18 6.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.217 -0.927 . . . . 0.0 112.747 -175.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 tt -71.81 -27.09 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.129 -0.982 . . . . 0.0 110.269 -175.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.14 -35.43 74.05 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.073 -1.017 . . . . 0.0 113.724 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -74.57 -24.16 58.88 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.907 ' CD1' HG23 ' B' ' 43' ' ' ILE . 1.9 tm? -61.04 -74.83 0.07 Allowed 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.156 0.982 . . . . 0.0 111.828 -173.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -49.02 -49.91 28.65 Favored Glycine 0 CA--C 1.572 3.623 0 O-C-N 121.136 -0.978 . . . . 0.0 115.092 -175.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.48 -36.68 68.5 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.301 -1.117 . . . . 0.0 113.939 -173.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.428 HG22 HD23 ' A' ' 31' ' ' LEU . 59.1 mt -43.61 -65.77 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.073 -1.017 . . . . 0.0 110.157 159.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.694 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.26 -34.18 60.21 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.091 -1.006 . . . . 0.0 111.417 -175.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.34 -29.94 19.94 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.353 -0.842 . . . . 0.0 110.811 -170.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.67 64.4 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -164.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.8 p -135.43 -27.22 1.21 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.304 -0.873 . . . . 0.0 109.833 -159.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.07 64.59 2.61 Favored Glycine 0 CA--C 1.572 3.62 0 O-C-N 121.229 -0.92 . . . . 0.0 115.085 167.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 O-C-N 121.235 -1.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 41.65 58.88 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.666 HG23 ' H ' ' B' ' 42' ' ' ASP . 15.3 t -66.15 168.09 9.06 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.166 -0.958 . . . . 0.0 109.798 176.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -74.32 -21.97 59.47 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 163.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -62.12 -35.76 79.72 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 172.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.666 ' H ' HG23 ' B' ' 39' ' ' THR . 71.5 m-20 -59.22 -36.8 76.06 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.215 -0.928 . . . . 0.0 112.664 169.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.907 HG23 ' CD1' ' A' ' 27' ' ' LEU . 1.2 mp -70.08 -46.81 71.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.183 -0.948 . . . . 0.0 110.297 172.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -38.69 86.04 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -178.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.09 -36.91 66.88 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 123.998 0.919 . . . . 0.0 112.667 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.63 -45.3 94.66 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 170.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 17.0 tpt -78.7 -7.12 57.4 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.151 -0.968 . . . . 0.0 112.086 -177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -93.15 -33.8 13.88 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.151 -0.968 . . . . 0.0 109.973 164.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -67.4 -52.06 44.32 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.501 -0.749 . . . . 0.0 112.446 -174.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.6 m -63.9 -42.73 97.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.201 -0.937 . . . . 0.0 112.854 170.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.08 179.8 4.21 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.138 -0.976 . . . . 0.0 112.706 -161.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.27 -138.33 0.16 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.143 -0.973 . . . . 0.0 109.589 154.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -69.53 -45.53 68.61 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.616 -1.302 . . . . 0.0 113.029 -155.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.2 m120 53.54 98.37 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.983 0.913 . . . . 0.0 113.444 154.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -27.02 -37.85 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 124.252 1.021 . . . . 0.0 112.739 154.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.26 -25.95 0.1 OUTLIER Glycine 0 CA--C 1.572 3.6 0 O-C-N 121.066 -1.021 . . . . 0.0 115.404 154.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.456 ' NH1' ' HD2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -116.25 173.55 6.53 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.136 -1.214 . . . . 0.0 114.071 -154.388 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.968 HG23 ' HB2' ' B' ' 62' ' ' GLU . 63.4 mt -109.54 150.22 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.276 -0.89 . . . . 0.0 110.335 -171.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -120.23 174.86 6.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.075 -1.015 . . . . 0.0 112.826 166.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.04 -33.27 51.11 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.955 -1.09 . . . . 0.0 112.025 -171.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.32 -84.73 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.84 2.257 . . . . 0.0 111.271 170.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.968 ' HB2' HG23 ' B' ' 58' ' ' ILE . 8.7 mt-10 -28.58 -33.53 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.913 -1.494 . . . . 0.0 113.982 168.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -62.34 -53.5 54.14 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.718 -1.239 . . . . 0.0 111.973 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.1 mt -54.72 -32.18 59.31 Favored 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 124.414 1.086 . . . . 0.0 111.838 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -85.74 -51.12 6.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.063 -1.023 . . . . 0.0 109.35 -176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.8 ttp -52.96 -30.21 33.5 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 171.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 36.3 tpp -77.52 -54.73 6.06 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.217 -0.927 . . . . 0.0 110.601 178.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.76 -88.13 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.79 152.96 7.68 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.166 -0.959 . . . . 0.0 115.106 -168.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.515 HG13 ' N ' ' B' ' 72' ' ' NH2 . 0.9 OUTLIER -114.56 157.43 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.286 -1.126 . . . . 0.0 108.478 165.058 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -70.96 -31.94 68.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.163 -0.961 . . . . 0.0 112.037 161.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . 0.515 ' N ' HG13 ' B' ' 70' ' ' VAL . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.253 -0.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.368 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 pttm -96.21 145.62 25.38 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.457 -0.777 . . . . 0.0 109.971 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.86 -164.27 1.1 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.247 -0.908 . . . . 0.0 112.397 159.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.5 tt0 -157.4 -30.31 0.08 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.235 -0.916 . . . . 0.0 111.836 161.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.585 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 6.4 tt0 -46.81 -55.7 7.48 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.58 -41.08 96.51 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -173.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.113 HD22 HD23 ' B' ' 64' ' ' LEU . 5.1 mp -69.58 -21.54 63.59 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.255 -0.903 . . . . 0.0 111.711 172.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.42 -62.22 1.53 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 171.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -42.8 -53.06 4.78 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.265 -0.897 . . . . 0.0 113.232 162.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.22 -35.2 78.17 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -177.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.552 ' CD1' HD12 ' A' ' 22' ' ' ILE . 79.8 t80 -77.0 -30.05 55.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.177 -0.952 . . . . 0.0 112.13 177.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -68.73 -30.14 68.71 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 124.422 1.089 . . . . 0.0 113.027 164.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -79.72 -37.61 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 C-N-CA 124.359 1.064 . . . . 0.0 110.172 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' CD1' HD12 ' A' ' 30' ' ' ILE . 10.8 m-30 -71.25 -28.72 64.36 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 123.841 0.856 . . . . 0.0 110.435 178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.709 ' OD2' ' HB3' ' A' ' 18' ' ' ALA . 61.6 t0 -40.38 141.23 0.54 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.212 1.005 . . . . 0.0 112.843 175.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.97 -38.85 4.39 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.205 -0.934 . . . . 0.0 109.29 165.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -128.19 -81.66 0.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 167.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.709 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . . . 72.47 83.32 0.13 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 157.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.03 -21.0 58.38 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.245 -0.909 . . . . 0.0 112.767 161.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . -175.5 -31.16 0.04 OUTLIER Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.116 -0.99 . . . . 0.0 115.002 -176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.444 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 1.5 m-30 -111.57 161.38 16.26 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.256 -1.143 . . . . 0.0 111.748 -166.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.552 HD12 ' CD1' ' A' ' 11' ' ' PHE . 84.1 mt -115.24 121.55 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.021 -1.049 . . . . 0.0 110.266 168.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -106.16 177.23 4.92 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.965 -1.084 . . . . 0.0 112.761 -157.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.28 -27.45 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.203 -0.936 . . . . 0.0 110.22 -178.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.43 -27.42 56.23 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' OE1' HG23 ' A' ' 22' ' ' ILE . 49.9 mt-10 -66.26 -38.53 88.04 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 166.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.733 HD12 HG23 ' B' ' 43' ' ' ILE . 0.1 OUTLIER -64.22 -68.22 0.37 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.197 -0.939 . . . . 0.0 111.883 -157.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.54 -51.3 1.39 Allowed Glycine 0 CA--C 1.572 3.643 0 O-C-N 121.17 -0.956 . . . . 0.0 115.144 173.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -75.97 -20.87 57.54 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.266 -1.138 . . . . 0.0 113.89 -171.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.509 HD12 ' CD1' ' A' ' 14' ' ' PHE . 23.9 mm -58.87 -69.81 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.247 -0.908 . . . . 0.0 110.251 156.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.488 HD11 HD21 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -51.52 -36.84 46.55 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.094 -1.004 . . . . 0.0 111.349 -173.484 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.86 -23.85 11.89 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.327 -0.858 . . . . 0.0 110.823 -164.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -123.42 172.62 8.56 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.49 -39.77 8.99 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.173 -0.954 . . . . 0.0 109.771 -171.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -142.81 162.35 27.43 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.154 -0.966 . . . . 0.0 115.129 -161.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.222 -1.163 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.327 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.53 150.98 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.722 ' O ' HD13 ' B' ' 43' ' ' ILE . 3.4 p -141.79 169.79 16.92 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.231 -0.918 . . . . 0.0 109.716 171.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -59.22 -60.54 3.69 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 167.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.96 -17.15 64.48 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -84.91 -37.94 19.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.172 -0.955 . . . . 0.0 112.698 172.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.733 HG23 HD12 ' A' ' 27' ' ' LEU . 1.7 mp -63.78 -43.19 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.152 -0.968 . . . . 0.0 110.266 166.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -39.1 91.88 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 177.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -66.53 -37.33 84.78 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.367 -0.833 . . . . 0.0 112.645 171.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.06 -45.01 87.13 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 77.6 mmm -71.03 -48.23 54.11 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.982 -1.074 . . . . 0.0 112.052 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -60.85 -25.16 66.44 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.241 -0.912 . . . . 0.0 110.381 177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.97 -57.95 5.89 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.878 -1.139 . . . . 0.0 112.399 168.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 36.4 p -66.09 -30.7 71.26 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.083 -1.01 . . . . 0.0 112.876 -168.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -82.78 134.48 35.12 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.222 -0.924 . . . . 0.0 112.682 -157.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -96.8 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.198 -0.939 . . . . 0.0 110.078 156.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -67.49 -6.74 21.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.217 -0.927 . . . . 0.0 113.355 -154.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 m120 62.79 38.14 11.91 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.15 -0.969 . . . . 0.0 113.303 170.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -72.7 -39.85 66.66 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.216 -0.928 . . . . 0.0 112.697 155.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.75 19.26 41.19 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.231 -0.918 . . . . 0.0 115.124 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -133.4 136.4 45.25 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -1.164 . . . . 0.0 113.859 170.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.547 HG23 ' HG3' ' B' ' 62' ' ' GLU . 70.3 mt -108.04 113.09 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.097 -1.002 . . . . 0.0 110.186 -154.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 p30 -94.14 163.45 13.46 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.907 -1.121 . . . . 0.0 113.16 171.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.467 ' HE2' ' HA ' ' A' ' 8' ' ' ALA . 40.9 t80 -51.81 -32.41 31.31 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.003 0.921 . . . . 0.0 112.034 -160.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -49.91 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.165 0 CA-C-O 124.618 2.151 . . . . 0.0 111.362 168.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.547 ' HG3' HG23 ' B' ' 58' ' ' ILE . 10.5 pt-20 -38.37 -17.04 0.01 OUTLIER 'General case' 0 CA--C 1.571 1.774 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 168.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.498 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 20.6 t80 -66.54 -58.82 4.4 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.747 -1.846 . . . . 0.0 112.059 162.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 1.113 HD23 HD22 ' A' ' 7' ' ' LEU . 19.0 mt -50.86 -28.56 9.77 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.591 1.156 . . . . 0.0 111.923 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -95.08 -21.8 18.31 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.119 -0.988 . . . . 0.0 109.604 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.1 ttp -73.45 -12.27 60.74 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.4 ttp -114.13 -40.45 3.7 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.212 -0.93 . . . . 0.0 110.546 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.03 39.18 2.75 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -24.97 108.17 0.01 OUTLIER Glycine 0 CA--C 1.572 3.622 0 O-C-N 121.248 -0.907 . . . . 0.0 115.14 160.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.78 115.47 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.299 -1.118 . . . . 0.0 108.51 160.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -40.06 140.12 0.61 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.158 -0.964 . . . . 0.0 111.935 171.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.419 0 O-C-N 121.118 -0.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.378 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.8 ttpt 73.46 97.86 0.07 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.568 -0.708 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.06 136.32 55.01 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.317 -0.864 . . . . 0.0 112.434 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 1.1 mp0 -112.93 -29.15 7.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.18 -0.95 . . . . 0.0 111.857 161.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -35.35 -60.34 0.49 Allowed 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 170.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -65.52 -48.62 71.87 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -171.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.591 HD12 HD23 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -62.81 -36.17 82.31 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.219 -0.925 . . . . 0.0 111.704 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.5 -51.07 31.46 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -39.48 -50.1 2.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.275 -0.891 . . . . 0.0 113.271 162.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -38.73 74.81 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 91.5 t80 -70.29 -31.22 68.47 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 112.119 -176.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.879 ' HD2' HG12 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -80.26 -38.8 30.21 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.24 -0.913 . . . . 0.0 112.944 170.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.879 HG12 ' HD2' ' A' ' 12' ' ' ARG . 1.9 mm -67.22 -38.82 81.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 C-N-CA 124.066 0.946 . . . . 0.0 110.291 -173.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -57.01 -47.91 79.73 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.236 -0.915 . . . . 0.0 110.37 171.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -81.56 156.22 25.32 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.278 -0.889 . . . . 0.0 112.842 -167.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 15.1 mtmm -129.56 7.35 5.29 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.002 -1.061 . . . . 0.0 109.938 -167.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.498 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.2 OUTLIER 179.93 83.71 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.216 -1.553 . . . . 0.0 114.588 -154.204 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 63.43 75.14 0.4 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -154.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.21 -21.73 0.3 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.376 -0.828 . . . . 0.0 112.714 168.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.74 -50.08 55.46 Favored Glycine 0 CA--C 1.572 3.618 0 O-C-N 121.142 -0.974 . . . . 0.0 115.209 173.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -116.94 156.06 28.06 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.245 -1.15 . . . . 0.0 111.735 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -115.36 158.34 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.227 -0.921 . . . . 0.0 110.266 166.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -126.85 168.82 13.94 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.006 -1.059 . . . . 0.0 112.67 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.2 tt -67.56 -29.63 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.178 -0.951 . . . . 0.0 110.253 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -64.85 -33.2 75.44 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 172.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -77.83 -25.37 48.78 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD22 HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -66.96 -71.38 0.2 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.203 -0.936 . . . . 0.0 111.875 -171.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -37.83 -61.39 1.13 Allowed Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.158 -0.964 . . . . 0.0 115.123 170.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.21 -30.86 71.93 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.307 -1.114 . . . . 0.0 113.931 -171.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.17 -74.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.186 -0.946 . . . . 0.0 110.253 156.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.606 HD23 HD22 ' A' ' 27' ' ' LEU . 4.5 pp -62.43 -4.22 1.78 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.29 -0.881 . . . . 0.0 111.681 -168.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.39 -64.79 1.08 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.229 -0.919 . . . . 0.0 110.808 168.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.668 ' O ' HG23 ' A' ' 34' ' ' THR . . . -96.67 162.79 13.29 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -164.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -161.91 -42.17 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.237 -0.915 . . . . 0.0 109.805 167.063 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.53 71.52 0.05 OUTLIER Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.213 -0.929 . . . . 0.0 115.09 169.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.438 0 O-C-N 121.199 -1.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.368 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t 73.86 123.01 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.02 -167.97 1.39 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.206 -0.934 . . . . 0.0 109.714 177.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -62.29 -37.78 86.83 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -31.63 72.2 Favored 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -61.56 -42.43 98.83 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.251 -0.906 . . . . 0.0 112.709 168.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mt -60.27 -58.56 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.143 -0.973 . . . . 0.0 110.191 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -32.89 74.79 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.052 -1.03 . . . . 0.0 113.776 -176.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.32 -53.89 44.43 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.286 -0.884 . . . . 0.0 112.642 165.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.36 -61.39 2.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.113 -0.992 . . . . 0.0 113.671 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 27.5 ttt -89.58 -3.57 58.24 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.655 -1.278 . . . . 0.0 112.165 -159.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -37.08 11.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.163 -0.96 . . . . 0.0 109.909 163.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.46 -25.71 66.02 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.383 -0.823 . . . . 0.0 112.41 173.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -89.81 -48.99 6.89 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.282 -0.886 . . . . 0.0 112.859 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -72.77 130.3 40.17 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.702 -157.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -102.43 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.27 -0.894 . . . . 0.0 109.873 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 34.1 p30 -70.89 -7.27 44.51 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.848 -1.158 . . . . 0.0 113.301 -164.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 63.64 49.19 3.09 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.953 . . . . 0.0 113.266 163.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -85.02 -51.28 6.78 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.295 -0.878 . . . . 0.0 112.582 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 165.63 -47.28 0.28 Allowed Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.257 -0.902 . . . . 0.0 115.209 173.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mmt-85 -112.63 158.72 19.65 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.305 -1.115 . . . . 0.0 113.866 -169.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.615 HG23 ' HB2' ' B' ' 62' ' ' GLU . 66.0 mt -109.46 136.6 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.163 -0.961 . . . . 0.0 110.301 -175.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -114.4 -178.27 3.33 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 124.225 1.01 . . . . 0.0 112.846 162.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -55.06 -34.88 63.96 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.015 -1.053 . . . . 0.0 112.033 -168.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -84.79 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.153 0 CA-C-O 124.752 2.215 . . . . 0.0 111.39 172.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.615 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.1 mp0 -27.93 -35.91 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.821 167.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.6 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 56.2 t80 -61.85 -50.22 73.13 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 120.971 -1.081 . . . . 0.0 111.816 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.591 HD23 HD12 ' A' ' 7' ' ' LEU . 13.2 mt -56.85 -32.57 65.94 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 124.874 1.27 . . . . 0.0 111.882 175.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -85.65 -40.14 16.52 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.6 ttp -50.95 -36.12 37.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 169.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.555 ' SD ' HD13 ' A' ' 7' ' ' LEU . 6.4 ptm -114.62 -14.8 12.04 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.174 -0.954 . . . . 0.0 110.537 -168.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.35 47.12 1.13 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 168.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -85.87 -142.64 6.59 Favored Glycine 0 CA--C 1.571 3.585 0 O-C-N 121.237 -0.914 . . . . 0.0 115.116 162.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.428 ' O ' HG13 ' B' ' 70' ' ' VAL . 7.3 p -79.58 101.89 5.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.226 -1.161 . . . . 0.0 108.527 -164.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.71 -34.24 0.59 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.183 -0.948 . . . . 0.0 111.923 165.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.423 0 O-C-N 121.163 -0.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.03 116.54 29.01 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.516 -0.74 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -131.47 99.26 4.76 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.288 -0.883 . . . . 0.0 112.42 166.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 21.4 pt-20 -152.39 -36.97 0.11 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.213 -0.929 . . . . 0.0 111.887 -167.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.6 OUTLIER -54.61 -47.84 72.93 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -171.002 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -85.93 -43.38 13.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.557 HD22 HD23 ' B' ' 64' ' ' LEU . 1.4 mp -60.96 -8.59 3.3 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 124.18 0.992 . . . . 0.0 111.806 163.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -89.87 -42.39 11.26 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 170.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -59.34 -37.18 77.18 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.169 -0.957 . . . . 0.0 113.226 160.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.67 -38.59 77.13 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 174.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.892 ' HD2' ' CD2' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -74.1 -44.69 53.03 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.206 -0.934 . . . . 0.0 112.316 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.51 -53.67 10.82 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.064 -1.022 . . . . 0.0 112.979 160.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -68.49 -27.23 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.317 1.047 . . . . 0.0 110.304 -168.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -63.97 -51.57 63.74 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 124.052 0.941 . . . . 0.0 110.429 171.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -74.3 127.91 34.21 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.153 -0.967 . . . . 0.0 112.792 -162.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.28 -21.15 27.5 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.172 -0.955 . . . . 0.0 109.388 -162.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -122.38 -28.1 4.34 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.528 1.306 . . . . 0.0 114.528 -179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.88 50.16 0.86 Allowed 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 163.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -73.22 -12.16 60.77 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.174 -0.954 . . . . 0.0 112.67 154.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.35 -18.09 4.45 Favored Glycine 0 CA--C 1.573 3.66 0 O-C-N 121.17 -0.956 . . . . 0.0 115.073 174.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -112.06 171.33 7.57 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.344 -1.092 . . . . 0.0 111.706 -155.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.431 HG13 ' CE1' ' A' ' 11' ' ' PHE . 5.7 mt -107.04 144.53 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.228 -0.92 . . . . 0.0 110.291 157.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -110.65 165.01 12.17 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.125 -0.984 . . . . 0.0 112.648 170.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -39.25 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.324 -0.86 . . . . 0.0 110.182 176.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.89 -29.92 63.53 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -174.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.766 ' O ' HD13 ' A' ' 30' ' ' ILE . 63.1 mt-10 -79.77 -18.25 51.48 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 172.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD23 HD23 ' A' ' 31' ' ' LEU . 6.1 tt -66.82 -61.12 2.12 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.219 -0.926 . . . . 0.0 111.868 -175.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.33 -54.3 7.42 Favored Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.094 -1.004 . . . . 0.0 115.18 166.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -57.56 -40.43 78.9 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.268 -1.136 . . . . 0.0 113.867 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.766 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -54.14 -77.19 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.14 -0.975 . . . . 0.0 110.245 162.494 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.444 HD23 HD23 ' A' ' 27' ' ' LEU . 4.6 pp -54.99 -22.67 16.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.11 -0.994 . . . . 0.0 111.626 -165.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttp-105 -77.71 -68.64 0.61 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.249 -0.907 . . . . 0.0 110.752 169.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -47.26 -74.81 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -157.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 p -65.61 147.07 54.01 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.231 -0.918 . . . . 0.0 109.774 -161.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -161.73 105.49 0.26 Allowed Glycine 0 CA--C 1.571 3.569 0 O-C-N 121.229 -0.919 . . . . 0.0 115.116 177.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.405 0 O-C-N 121.245 -1.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.332 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.489 ' O ' HG13 ' B' ' 38' ' ' VAL . 10.4 p -146.43 78.03 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.86 154.06 49.56 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.183 -0.948 . . . . 0.0 109.7 -164.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -20.15 65.77 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 161.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.87 -28.05 66.35 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -65.84 -38.26 88.41 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.235 -0.916 . . . . 0.0 112.668 166.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.38 -36.72 78.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.256 -0.902 . . . . 0.0 110.267 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -37.67 80.06 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.88 -42.64 85.24 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.37 -0.831 . . . . 0.0 112.724 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -60.7 -41.4 95.12 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 166.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 13.9 tpt -63.98 -8.89 12.9 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.186 -0.946 . . . . 0.0 112.087 167.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.41 -31.23 11.02 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.263 -0.898 . . . . 0.0 110.282 170.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.07 -51.08 58.84 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.399 -0.813 . . . . 0.0 112.447 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.3 t -77.68 -39.96 43.08 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.27 -0.894 . . . . 0.0 112.915 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.24 144.12 57.37 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.257 -0.902 . . . . 0.0 112.674 -169.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -144.72 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.149 -0.97 . . . . 0.0 109.96 155.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.34 -1.43 8.22 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 -168.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 14.1 m120 58.36 87.23 0.07 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.805 -1.185 . . . . 0.0 113.271 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -74.4 -44.5 51.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.186 -0.946 . . . . 0.0 112.728 158.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.0 -52.86 0.1 Allowed Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.092 -1.005 . . . . 0.0 115.068 167.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 177.52 7.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.265 -1.138 . . . . 0.0 113.846 -175.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.815 HD13 ' HE2' ' B' ' 66' ' ' MET . 51.4 mt -100.7 134.72 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.129 -0.982 . . . . 0.0 110.117 -159.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -111.38 173.03 6.54 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 124.402 1.081 . . . . 0.0 112.807 166.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.892 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 38.8 t80 -52.65 -31.7 38.28 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.867 -1.146 . . . . 0.0 112.119 -165.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.3 -83.41 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.829 2.252 . . . . 0.0 111.508 168.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.78 ' HB2' HG23 ' B' ' 58' ' ' ILE . 15.4 mt-10 -25.56 -38.54 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.722 0 CA-C-N 113.778 -1.556 . . . . 0.0 113.684 166.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.686 ' HA ' ' HE3' ' B' ' 66' ' ' MET . 64.9 t80 -63.21 -50.66 69.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.039 -1.038 . . . . 0.0 112.121 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.557 HD23 HD22 ' A' ' 7' ' ' LEU . 52.8 mt -62.35 -39.5 93.34 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 124.524 1.13 . . . . 0.0 111.816 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 12.3 mttm -72.5 -39.0 67.99 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.051 -1.031 . . . . 0.0 109.381 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.815 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.6 ttm -70.48 -21.64 62.75 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -177.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 45.0 tpp -79.84 -61.72 1.9 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.292 -0.88 . . . . 0.0 110.547 166.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -73.25 -52.33 14.42 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 -167.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.3 43.77 14.53 Favored Glycine 0 CA--C 1.571 3.551 0 O-C-N 121.234 -0.916 . . . . 0.0 115.107 154.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.404 ' O ' HG13 ' B' ' 70' ' ' VAL . 9.4 p -105.94 56.9 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.21 -1.171 . . . . 0.0 108.494 -155.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -154.47 0.33 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.238 -0.914 . . . . 0.0 111.948 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.254 -0.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.334 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.81 111.69 24.03 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.531 -0.731 . . . . 0.0 110.109 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -68.4 158.29 33.94 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.33 -0.856 . . . . 0.0 112.418 -172.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.3 mp0 -156.62 -26.43 0.1 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.236 -0.915 . . . . 0.0 111.787 -164.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -40.64 -44.48 2.15 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -71.64 -47.37 54.89 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.697 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -71.52 -36.72 71.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.152 -0.968 . . . . 0.0 111.752 175.606 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.449 ' O ' ' HD2' ' A' ' 12' ' ' ARG . . . -56.65 -60.99 2.75 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 168.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -34.55 -71.39 0.07 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.024 0.93 . . . . 0.0 113.244 160.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.2 -33.09 72.9 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -171.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.622 ' HE2' ' HB2' ' B' ' 60' ' ' PHE . 1.8 t80 -68.24 -40.25 82.03 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.183 -0.948 . . . . 0.0 112.17 175.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 8' ' ' ALA . 32.1 mtt180 -59.01 -38.98 80.49 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.118 -0.989 . . . . 0.0 112.949 162.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.6 mm -71.68 -33.88 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.358 1.063 . . . . 0.0 110.247 -168.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 30' ' ' ILE . 4.8 m-30 -60.53 -41.89 95.35 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.31 -0.869 . . . . 0.0 110.445 166.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.74 141.97 44.39 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.193 -0.942 . . . . 0.0 112.732 -161.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -127.79 30.6 5.27 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.121 -0.987 . . . . 0.0 109.631 -162.389 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.447 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 1.0 OUTLIER -173.42 -39.65 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 179.014 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 83.98 44.02 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 154.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -68.99 -21.58 64.14 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.206 -0.934 . . . . 0.0 112.595 154.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.0 -28.94 3.44 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.263 -0.898 . . . . 0.0 115.332 173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.43 167.2 10.2 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.191 -1.182 . . . . 0.0 111.653 -167.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.515 HG13 ' HE1' ' A' ' 11' ' ' PHE . 2.1 mt -95.79 159.13 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.187 -0.945 . . . . 0.0 110.329 166.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -124.47 -178.25 4.06 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.241 -0.912 . . . . 0.0 112.753 -178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.53 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.6 -37.01 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.235 -0.915 . . . . 0.0 110.223 178.342 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.19 -33.8 73.92 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -75.7 -34.99 60.43 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' B' ' 43' ' ' ILE . 1.0 OUTLIER -43.44 -63.38 0.84 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.244 -0.91 . . . . 0.0 111.967 175.002 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.2 -47.03 85.13 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.078 -1.014 . . . . 0.0 115.171 -174.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 48.2 mm-40 -62.76 -35.79 80.95 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.257 -1.143 . . . . 0.0 113.885 173.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.436 HD11 HD13 ' A' ' 22' ' ' ILE . 11.9 mt -48.26 -65.18 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.029 -1.044 . . . . 0.0 110.178 162.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.664 HD12 ' HB2' ' A' ' 32' ' ' ARG . 2.3 pp -64.73 -19.9 66.04 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.848 -1.158 . . . . 0.0 111.599 -164.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.664 ' HB2' HD12 ' A' ' 31' ' ' LEU . 14.2 ttm-85 -114.05 -14.2 12.41 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.067 -1.021 . . . . 0.0 111.044 -169.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -72.55 -32.81 66.37 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.1 m -82.83 115.19 21.62 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.202 -0.936 . . . . 0.0 109.723 -154.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.6 22.51 0.03 OUTLIER Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.284 -0.885 . . . . 0.0 115.012 157.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.22 -1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . 0.428 ' C ' HG23 ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.236 0.347 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.428 HG23 ' C ' ' B' ' 37' ' ' ACE . 2.5 t 81.54 82.06 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.75 -172.22 2.11 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.193 -0.942 . . . . 0.0 109.772 -178.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -77.65 -48.77 16.0 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -167.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -60.57 -35.39 75.96 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -59.9 -50.67 72.87 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.185 -0.947 . . . . 0.0 112.652 171.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.53 HG22 HD11 ' A' ' 24' ' ' ILE . 11.4 mt -61.95 -38.0 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.158 -0.964 . . . . 0.0 110.239 174.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.5 75.82 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -69.76 -46.02 66.77 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.903 0.881 . . . . 0.0 112.69 170.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.1 tt -63.78 -46.5 84.93 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.5 ttt -63.97 -32.57 74.15 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.021 -1.049 . . . . 0.0 112.068 176.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -85.73 -8.69 58.01 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.267 -0.896 . . . . 0.0 110.542 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -67.09 -67.2 0.47 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.113 -1.617 . . . . 0.0 112.451 154.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.2 p -64.09 -41.99 97.11 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.956 -1.09 . . . . 0.0 112.822 -168.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -53.73 133.59 42.07 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.193 -0.942 . . . . 0.0 112.706 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.49 -95.48 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.979 -1.076 . . . . 0.0 110.154 158.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -59.75 -23.59 63.35 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.235 -0.916 . . . . 0.0 113.382 -154.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 59.32 80.92 0.18 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.174 -0.954 . . . . 0.0 113.277 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.73 14.8 2.32 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.192 -0.942 . . . . 0.0 112.841 166.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.9 -19.91 24.91 Favored Glycine 0 CA--C 1.571 3.555 0 O-C-N 120.758 -1.214 . . . . 0.0 115.663 154.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 56.2 mtt85 -118.51 165.16 14.26 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.048 -1.266 . . . . 0.0 113.992 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.983 HG23 ' HB2' ' B' ' 62' ' ' GLU . 72.9 mt -112.52 135.81 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.173 -0.954 . . . . 0.0 110.496 170.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -122.68 179.17 4.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.015 -1.053 . . . . 0.0 112.837 168.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.622 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -53.87 -32.07 51.91 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.832 -1.168 . . . . 0.0 112.035 -161.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.68 -83.86 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.117 0 CA-C-O 124.91 2.29 . . . . 0.0 111.615 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.983 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.6 OUTLIER -25.53 -37.0 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.933 -1.485 . . . . 0.0 113.813 165.679 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.02 -52.68 61.99 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.207 -0.933 . . . . 0.0 111.885 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.697 HD23 HD12 ' A' ' 7' ' ' LEU . 57.2 mt -60.4 -29.03 68.71 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.338 1.055 . . . . 0.0 111.723 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -43.79 20.09 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.39 -16.17 5.27 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 173.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.22 -53.44 4.85 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.142 -0.974 . . . . 0.0 110.529 165.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -67.28 -38.32 84.88 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -167.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.03 -98.1 1.27 Allowed Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.15 -0.969 . . . . 0.0 115.105 175.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 82.5 t -113.75 161.38 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.225 -1.162 . . . . 0.0 108.497 161.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -46.35 -82.44 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.175 -0.953 . . . . 0.0 111.955 171.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.425 0 O-C-N 121.244 -0.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.93 69.95 0.75 Allowed 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 123.558 0.743 . . . . 0.0 109.986 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -59.42 118.15 5.67 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.295 -0.878 . . . . 0.0 112.48 159.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 3.9 mt-10 -52.42 -36.47 54.42 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.312 -0.867 . . . . 0.0 111.879 -164.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.661 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.2 tt0 -80.98 -37.19 29.72 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -159.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.97 -32.8 69.76 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 174.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.47 HD11 ' OE2' ' B' ' 68' ' ' GLU . 4.0 mt -68.88 -20.26 64.26 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 124.039 0.935 . . . . 0.0 111.781 162.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -74.2 -48.51 28.57 Favored 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 168.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -56.61 -40.8 75.95 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.299 -0.875 . . . . 0.0 113.231 166.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -44.28 66.11 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.637 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 0.8 OUTLIER -69.12 -31.87 70.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.84 . . . . 0.0 112.082 175.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -64.73 -46.77 80.85 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.233 -0.917 . . . . 0.0 112.952 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mm -76.57 -31.43 20.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 C-N-CA 124.382 1.073 . . . . 0.0 110.216 -165.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.489 ' CD1' HD11 ' A' ' 30' ' ' ILE . 22.1 m-30 -61.76 -52.32 64.69 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.347 -0.845 . . . . 0.0 110.425 166.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -67.69 98.8 0.73 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.15 -0.968 . . . . 0.0 112.805 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -12.71 60.0 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.127 -0.983 . . . . 0.0 109.386 -163.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -101.08 -35.24 9.41 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 172.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 71.34 49.4 0.31 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 174.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.6 11.89 20.58 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.195 -0.941 . . . . 0.0 112.655 162.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.99 6.89 84.52 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.214 -0.929 . . . . 0.0 115.113 178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -115.8 156.68 25.61 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.359 -1.083 . . . . 0.0 111.653 -174.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.843 HG23 ' CG ' ' A' ' 26' ' ' GLU . 0.9 OUTLIER -102.77 150.68 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.119 -0.988 . . . . 0.0 110.273 162.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -120.19 162.15 19.84 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.258 -0.901 . . . . 0.0 112.69 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.45 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -67.98 -23.06 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.288 -0.882 . . . . 0.0 110.329 178.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -75.74 -35.5 60.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.904 -1.123 . . . . 0.0 113.722 173.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.843 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.05 -52.95 29.46 Favored 'General case' 0 CA--C 1.574 1.892 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.737 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.707 ' HG ' HD23 ' A' ' 31' ' ' LEU . 6.2 tp -39.65 -77.83 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 C-N-CA 124.248 1.019 . . . . 0.0 111.834 174.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' HA2' HD21 ' A' ' 31' ' ' LEU . . . -51.45 -37.73 40.95 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.158 -0.964 . . . . 0.0 115.105 -170.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -56.97 -58.41 8.28 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.234 -1.156 . . . . 0.0 113.865 170.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 14' ' ' PHE . 4.2 mt -51.6 -58.39 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.162 -0.961 . . . . 0.0 110.205 174.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.707 HD23 ' HG ' ' A' ' 27' ' ' LEU . 4.4 pp -63.35 -32.06 73.38 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.002 -1.061 . . . . 0.0 111.618 -170.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.57 ' CG ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -127.77 35.14 4.53 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.224 -0.923 . . . . 0.0 110.784 -169.186 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -112.63 140.38 47.45 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 167.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.525 ' O ' HG23 ' A' ' 34' ' ' THR . 4.7 t -164.0 35.15 0.08 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.295 -0.878 . . . . 0.0 109.81 178.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.17 -81.94 0.76 Allowed Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.3 -0.875 . . . . 0.0 115.086 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.404 0 O-C-N 121.251 -1.147 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -79.58 150.24 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.1 p -134.18 127.69 32.5 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.215 -0.928 . . . . 0.0 109.706 168.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -39.89 95.85 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -167.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.33 -39.61 89.36 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -46.85 -65.65 0.53 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.194 -0.941 . . . . 0.0 112.648 165.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.562 HG23 HD23 ' A' ' 27' ' ' LEU . 1.6 mp -66.35 -38.02 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.046 -1.034 . . . . 0.0 110.28 -168.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -73.13 -34.11 65.93 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -65.79 -47.04 76.47 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.323 -0.861 . . . . 0.0 112.702 173.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.5 tt -62.41 -43.86 97.81 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 169.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.8 tpt -80.39 13.17 2.55 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.071 -1.018 . . . . 0.0 112.074 169.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -102.0 -40.02 7.06 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.058 0.943 . . . . 0.0 109.925 157.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -67.59 -40.11 84.78 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.446 -0.784 . . . . 0.0 112.505 -171.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.7 m -104.35 -7.94 19.58 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.237 -0.914 . . . . 0.0 113.099 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -82.64 26.57 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.036 -1.04 . . . . 0.0 112.673 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -41.4 93.99 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.172 -0.955 . . . . 0.0 109.95 -164.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -73.54 5.04 4.14 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -172.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.5 m120 63.42 41.2 7.74 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.788 -1.195 . . . . 0.0 113.259 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -94.39 66.69 3.39 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 124.086 0.955 . . . . 0.0 112.684 156.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.49 -19.95 0.17 Allowed Glycine 0 CA--C 1.572 3.635 0 O-C-N 121.161 -0.962 . . . . 0.0 115.115 174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.91 151.47 41.73 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.306 -1.114 . . . . 0.0 113.811 159.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.846 HG23 ' HB2' ' B' ' 62' ' ' GLU . 71.8 mt -108.37 148.42 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.097 -1.002 . . . . 0.0 110.187 -154.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.48 179.54 3.97 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.967 -1.083 . . . . 0.0 112.855 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.454 ' HA ' ' CE2' ' A' ' 11' ' ' PHE . 1.4 t80 -66.16 -32.24 73.57 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.905 -1.122 . . . . 0.0 112.044 -163.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -83.87 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 124.947 2.308 . . . . 0.0 111.248 165.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.846 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.5 mm-40 -25.78 -37.87 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.712 0 CA-C-N 113.788 -1.551 . . . . 0.0 113.847 166.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.637 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 48.9 t80 -60.94 -50.77 72.06 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.211 -0.931 . . . . 0.0 111.884 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt -57.34 -35.21 69.63 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 124.232 1.013 . . . . 0.0 111.897 174.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -42.25 70.57 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.095 -1.003 . . . . 0.0 109.383 172.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 13.7 tmm? -75.6 -35.59 60.51 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -164.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 22.6 mtt -78.68 -70.3 0.51 Allowed 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.217 -0.927 . . . . 0.0 110.564 157.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.47 ' OE2' HD11 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -93.58 16.44 13.73 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -159.39 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.91 89.52 0.01 OUTLIER Glycine 0 CA--C 1.571 3.547 0 O-C-N 121.214 -0.929 . . . . 0.0 115.127 168.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.27 22.86 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.244 -1.151 . . . . 0.0 108.499 -169.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -74.67 92.48 2.45 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.191 -0.943 . . . . 0.0 112.009 -173.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.4 0 O-C-N 121.209 -0.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.387 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp 41.91 77.82 0.05 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.496 -0.753 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.42 29.48 2.54 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.264 -0.898 . . . . 0.0 112.319 155.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.936 ' HG2' HD21 ' B' ' 64' ' ' LEU 0.258 0.1 OUTLIER -44.82 91.31 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.255 -0.903 . . . . 0.0 111.844 170.004 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.1 tt0 -89.96 -68.26 0.79 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -168.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -26.78 59.09 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 168.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.97 -27.9 66.14 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.051 0.94 . . . . 0.0 111.737 165.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -74.01 -57.17 4.15 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 173.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -31.71 -53.54 0.26 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.231 -0.918 . . . . 0.0 113.253 158.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.68 -33.91 58.24 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -173.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.605 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 14.9 t80 -70.77 -34.59 71.97 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.222 -0.923 . . . . 0.0 112.092 177.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.82 -32.09 35.34 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.189 -0.944 . . . . 0.0 112.92 175.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.65 -30.83 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 C-N-CA 123.996 0.918 . . . . 0.0 110.333 172.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 m-30 -71.66 -56.17 6.33 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 123.883 0.873 . . . . 0.0 110.341 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.39 130.25 42.32 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.24 -0.913 . . . . 0.0 112.804 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.02 26.68 6.93 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.154 -0.967 . . . . 0.0 109.376 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 3.1 p30 -124.59 -32.53 3.11 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.52 43.73 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 156.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -71.92 -19.52 61.91 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 124.014 0.926 . . . . 0.0 112.698 160.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.23 -0.04 40.86 Favored Glycine 0 CA--C 1.571 3.562 0 N-CA-C 115.443 0.937 . . . . 0.0 115.443 -167.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -116.08 161.41 18.94 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.978 -1.307 . . . . 0.0 111.741 -171.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mt -108.41 137.04 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 124.059 0.944 . . . . 0.0 110.293 164.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -118.55 162.12 18.9 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.154 -0.966 . . . . 0.0 112.727 -171.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' B' ' 47' ' ' MET . 1.2 tp -64.42 -36.03 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.147 -0.971 . . . . 0.0 110.19 -174.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -72.93 -30.24 63.73 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -78.45 -17.62 56.06 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 HD11 ' A' ' 31' ' ' LEU . 2.0 tm? -68.8 -69.19 0.34 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.27 -0.894 . . . . 0.0 111.939 -171.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.493 ' CA ' HD12 ' A' ' 31' ' ' LEU . . . -25.17 -68.51 0.04 OUTLIER Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.218 -0.926 . . . . 0.0 115.186 161.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -65.8 -28.52 69.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.255 -1.144 . . . . 0.0 113.872 -173.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -54.32 -61.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.145 -0.972 . . . . 0.0 110.211 164.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD11 HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.38 -20.69 20.57 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.169 -0.957 . . . . 0.0 111.332 174.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 43.3 3.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.359 -0.838 . . . . 0.0 110.814 -172.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.06 -52.48 2.77 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 164.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -83.12 136.09 34.58 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.167 -0.958 . . . . 0.0 109.715 -171.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.27 134.26 7.69 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.242 -0.912 . . . . 0.0 115.081 157.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 O-C-N 121.24 -1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.372 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.2 p -114.29 135.24 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.462 ' O ' HD13 ' B' ' 43' ' ' ILE . 11.6 m -150.37 146.51 26.76 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.195 -0.941 . . . . 0.0 109.766 -179.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.75 -27.49 61.2 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -63.78 -43.11 97.33 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.74 -43.44 62.92 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.221 -0.924 . . . . 0.0 112.67 167.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.462 HD13 ' O ' ' B' ' 39' ' ' THR . 1.3 mp -64.42 -36.13 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 110.251 178.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -40.16 91.59 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 175.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.05 -25.62 67.9 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.389 -0.819 . . . . 0.0 112.65 172.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.473 ' C ' HD13 ' B' ' 46' ' ' LEU . 3.3 tm? -73.53 -50.26 22.33 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 175.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.444 ' HG3' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -92.06 13.17 19.6 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.873 -1.142 . . . . 0.0 112.072 -176.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -99.08 -45.13 6.04 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 124.014 0.925 . . . . 0.0 109.937 155.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.57 -47.31 70.15 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.581 -0.699 . . . . 0.0 112.438 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -88.58 -20.48 24.95 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.257 -0.902 . . . . 0.0 112.865 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -73.89 -136.02 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.126 -0.984 . . . . 0.0 112.576 171.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.34 -118.14 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.619 -1.301 . . . . 0.0 109.94 156.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -73.92 12.18 0.74 Allowed 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.661 -1.275 . . . . 0.0 113.435 -170.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 m120 76.61 32.71 0.53 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.983 -1.073 . . . . 0.0 113.161 158.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -122.99 53.26 1.3 Allowed 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 125.054 1.342 . . . . 0.0 112.579 154.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -137.9 49.16 0.86 Allowed Glycine 0 CA--C 1.571 3.538 0 N-CA-C 115.58 0.992 . . . . 0.0 115.58 -161.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 134.73 0.91 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.252 -1.146 . . . . 0.0 113.737 154.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.734 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.8 mt -90.96 144.42 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 C-N-CA 124.533 1.133 . . . . 0.0 110.265 -154.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 57.1 p-10 -122.19 172.96 7.89 Favored 'General case' 0 N--CA 1.497 1.918 0 C-N-CA 124.253 1.021 . . . . 0.0 112.697 165.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.585 ' O ' ' HD1' ' B' ' 60' ' ' PHE . 0.6 OUTLIER -58.24 -32.53 68.43 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.038 -1.039 . . . . 0.0 112.279 -160.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.99 -78.94 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.702 0 O-C-N 120.747 -1.221 . . . . 0.0 113.525 162.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.734 ' HB2' HG23 ' B' ' 58' ' ' ILE . 32.8 mt-10 -36.71 -32.86 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 172.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.605 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 54.3 t80 -58.5 -49.75 76.22 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.394 -1.441 . . . . 0.0 111.836 172.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.936 HD21 ' HG2' ' A' ' 4' ' ' GLU . 25.8 mt -61.3 -28.33 69.12 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.328 -0.858 . . . . 0.0 111.749 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -80.21 -37.98 32.09 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.131 -0.98 . . . . 0.0 109.253 175.047 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 19.2 ttm -62.39 -53.18 58.7 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 31.7 tpp -62.93 -71.96 0.15 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.239 -0.913 . . . . 0.0 110.543 167.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.6 4.76 30.64 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -158.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -85.16 -29.68 27.43 Favored Glycine 0 CA--C 1.572 3.599 0 O-C-N 120.803 -1.185 . . . . 0.0 115.007 167.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.3 t -103.8 94.09 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.23 -1.159 . . . . 0.0 108.5 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.71 -84.24 0.13 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.182 -0.949 . . . . 0.0 112.074 -169.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.402 0 O-C-N 121.214 -0.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.335 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -86.16 118.85 25.88 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.545 -0.722 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 127.07 28.96 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.382 -0.824 . . . . 0.0 112.461 -170.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 8.4 pt-20 -107.1 -21.72 12.89 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.281 -0.887 . . . . 0.0 112.143 -171.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.66 -66.68 0.4 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.958 -1.089 . . . . 0.0 113.897 -164.637 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -26.9 68.68 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -172.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.75 -22.28 50.51 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 124.047 0.939 . . . . 0.0 111.7 170.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.588 ' HA ' ' HE2' ' B' ' 60' ' ' PHE . . . -71.84 -58.52 3.39 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -38.28 -50.28 1.44 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.312 -0.868 . . . . 0.0 113.288 160.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.12 -37.89 66.5 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -174.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.703 ' HE2' ' CA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -68.95 -37.71 79.0 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.052 0.941 . . . . 0.0 112.104 176.497 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -83.36 -4.27 58.31 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.146 -0.971 . . . . 0.0 112.957 174.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.3 mm -82.3 -44.98 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.4 1.08 . . . . 0.0 110.14 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' HB3' HD11 ' A' ' 30' ' ' ILE . 6.4 m-30 -67.2 -30.92 70.99 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.357 -0.84 . . . . 0.0 110.353 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -82.06 129.8 34.9 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.267 -0.896 . . . . 0.0 112.876 -173.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -87.33 -49.89 6.94 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.086 -1.009 . . . . 0.0 109.382 -169.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.496 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 31.5 t30 -99.07 -27.19 13.95 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -165.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 80.1 46.67 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 159.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -88.71 -3.34 58.8 Favored 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 123.993 0.917 . . . . 0.0 112.95 157.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.1 8.67 35.78 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 120.69 -1.256 . . . . 0.0 115.339 170.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -117.23 158.73 23.81 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.108 -1.231 . . . . 0.0 111.726 -177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.56 HG23 ' OE2' ' A' ' 26' ' ' GLU . 7.7 mt -101.28 131.35 49.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.045 -1.034 . . . . 0.0 110.28 162.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -113.73 173.5 6.39 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.196 -0.94 . . . . 0.0 112.657 -176.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -26.76 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.228 -0.92 . . . . 0.0 110.304 173.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.6 -33.92 64.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.978 -1.076 . . . . 0.0 113.772 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' OE2' HG23 ' A' ' 22' ' ' ILE . 1.2 pp20? -71.42 -49.59 40.25 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.746 HD11 HD12 ' B' ' 46' ' ' LEU . 7.6 tt -39.38 -58.13 1.28 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 125.085 1.354 . . . . 0.0 112.022 -179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.47 -27.96 58.92 Favored Glycine 0 CA--C 1.572 3.608 0 O-C-N 121.181 -0.949 . . . . 0.0 115.094 -177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -30.2 46.91 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.274 -1.133 . . . . 0.0 113.91 173.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.606 HD11 ' HB3' ' A' ' 14' ' ' PHE . 8.6 mt -59.18 -70.33 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.198 -0.939 . . . . 0.0 110.277 163.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.41 2.99 0.22 Allowed 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.104 -0.997 . . . . 0.0 111.483 -175.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -97.2 -50.32 4.62 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.242 -0.911 . . . . 0.0 110.89 163.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.96 -80.04 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -160.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.06 150.14 50.22 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.165 -0.959 . . . . 0.0 109.891 163.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.78 -83.91 0.01 OUTLIER Glycine 0 CA--C 1.572 3.604 0 O-C-N 121.232 -0.917 . . . . 0.0 115.114 168.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.405 0 O-C-N 121.22 -1.165 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.437 ' O ' HG12 ' B' ' 38' ' ' VAL . 43.3 t 42.28 70.07 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.84 -169.72 2.47 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.174 -0.953 . . . . 0.0 109.742 -166.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -76.0 -39.97 54.64 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.06 -18.89 64.06 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -176.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.58 -48.82 79.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.251 -0.905 . . . . 0.0 112.638 162.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.545 HG23 HD22 ' A' ' 27' ' ' LEU . 1.6 mp -65.73 -33.63 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.31 -0.868 . . . . 0.0 110.271 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.48 75.48 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 176.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -61.22 -32.82 72.59 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.259 -0.901 . . . . 0.0 112.622 165.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.746 HD12 HD11 ' A' ' 27' ' ' LEU . 2.8 tm? -79.27 -44.08 22.43 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -171.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 2.9 tpt -88.11 0.07 56.46 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.103 -0.998 . . . . 0.0 112.18 174.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.44 -45.67 14.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.184 -0.948 . . . . 0.0 109.751 157.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -67.5 -28.77 68.12 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.579 -0.701 . . . . 0.0 112.469 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -93.31 -5.42 49.72 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.251 -0.906 . . . . 0.0 113.14 -178.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.39 109.29 3.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.841 -1.162 . . . . 0.0 112.741 -174.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -68.81 -122.9 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.075 -1.016 . . . . 0.0 109.833 154.721 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -71.56 -58.92 3.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.939 -1.101 . . . . 0.0 113.212 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 59.24 97.05 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.227 -0.921 . . . . 0.0 113.22 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -66.12 -34.48 78.15 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.184 -0.948 . . . . 0.0 112.658 156.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.34 -30.48 0.09 OUTLIER Glycine 0 CA--C 1.571 3.591 0 O-C-N 121.232 -0.917 . . . . 0.0 114.971 -171.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 173.99 14.47 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.317 -1.108 . . . . 0.0 113.851 -174.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.795 HG23 ' CB ' ' B' ' 62' ' ' GLU . 78.3 mt -109.41 154.43 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.138 -0.976 . . . . 0.0 110.183 -170.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -121.7 -160.88 0.88 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.687 158.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.703 ' CA ' ' HE2' ' A' ' 11' ' ' PHE . 2.3 t80 -72.32 -33.76 67.6 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.093 -1.004 . . . . 0.0 112.095 -172.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -47.82 -82.8 0.01 OUTLIER 'General case' 0 CA--C 1.583 2.22 0 CA-C-O 124.689 2.185 . . . . 0.0 111.305 167.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.795 ' CB ' HG23 ' B' ' 58' ' ' ILE . 1.5 mp0 -22.92 -47.5 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.536 163.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -59.03 -51.16 71.24 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-O 121.74 0.781 . . . . 0.0 112.158 -176.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 47.9 mt -54.88 -34.69 63.28 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 125.732 1.613 . . . . 0.0 112.084 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -85.36 -34.32 21.83 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.978 -1.077 . . . . 0.0 109.338 -173.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 54.4 ttp -72.06 -29.46 64.17 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 176.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -97.22 -30.44 12.99 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.25 -0.906 . . . . 0.0 110.551 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -81.02 -52.07 7.81 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 170.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -45.4 -60.88 3.92 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.306 -0.871 . . . . 0.0 115.17 -161.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.5 t -57.24 117.85 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.328 -1.101 . . . . 0.0 108.489 163.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -82.55 151.47 26.41 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.225 -0.922 . . . . 0.0 111.869 162.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.399 0 O-C-N 121.188 -0.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.396 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.18 76.58 1.53 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.449 -0.782 . . . . 0.0 110.01 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -139.5 100.18 3.91 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.255 -0.903 . . . . 0.0 112.447 -175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 4.6 mt-10 -63.27 -19.62 64.73 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.224 -0.922 . . . . 0.0 112.189 163.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -70.44 -34.79 72.88 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.741 -1.224 . . . . 0.0 113.837 -154.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HG2' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.88 -48.14 82.47 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 166.338 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD23 ' HG2' ' A' ' 6' ' ' GLU . 2.4 mt -78.07 -17.53 56.89 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.277 1.031 . . . . 0.0 111.736 -174.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.07 -53.04 10.82 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 164.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -44.23 -49.39 9.25 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.256 -0.902 . . . . 0.0 113.307 164.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' O ' ' HD2' ' A' ' 14' ' ' PHE . . . -72.1 -36.89 69.59 Favored 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 89.8 t80 -69.77 -33.01 71.83 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.273 -0.892 . . . . 0.0 112.251 -178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -79.55 -39.85 30.9 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.084 -1.01 . . . . 0.0 112.888 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -59.96 -35.21 59.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.288 -0.883 . . . . 0.0 110.268 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.548 ' HD2' ' O ' ' A' ' 10' ' ' ALA . 19.6 m-85 -66.38 -46.43 76.69 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.263 -0.898 . . . . 0.0 110.471 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -65.83 116.94 7.54 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.172 -0.955 . . . . 0.0 112.761 -157.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -57.33 -39.18 75.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.014 -1.054 . . . . 0.0 109.209 -168.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -129.44 -15.35 4.07 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -157.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.26 46.45 0.43 Allowed 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 171.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.07 -13.51 62.24 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.283 -0.886 . . . . 0.0 112.643 160.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.46 5.3 82.13 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.292 -0.88 . . . . 0.0 115.043 -160.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.6 169.25 9.2 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.326 -1.103 . . . . 0.0 111.624 173.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.761 HG23 ' CD ' ' A' ' 26' ' ' GLU . 5.8 mt -114.8 132.59 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.07 -1.019 . . . . 0.0 110.245 165.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.16 176.91 5.01 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.114 -0.991 . . . . 0.0 112.717 178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.517 HD13 ' HG2' ' B' ' 47' ' ' MET . 3.4 tp -66.78 -32.61 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.17 -0.956 . . . . 0.0 110.238 169.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.61 -18.58 51.26 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -172.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.761 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -68.45 -46.3 70.17 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 160.575 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.74 -50.86 61.4 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.286 -0.884 . . . . 0.0 111.875 -159.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -36.19 -56.73 1.14 Allowed Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.113 -0.992 . . . . 0.0 115.151 166.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.63 ' HG3' ' HB2' ' A' ' 33' ' ' ALA . 2.1 tp10 -58.74 -41.94 87.63 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.35 -1.088 . . . . 0.0 113.883 176.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -54.1 -55.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.229 -0.92 . . . . 0.0 110.26 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 3.4 mt -54.83 -44.14 73.62 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.92 -1.112 . . . . 0.0 111.329 168.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -82.52 -77.45 0.23 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.331 -0.856 . . . . 0.0 110.778 -170.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB2' ' HG3' ' A' ' 29' ' ' GLU . . . -43.22 139.14 1.99 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 -170.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 p -77.04 -14.45 59.82 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.269 -0.894 . . . . 0.0 109.685 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 45.94 -103.4 0.05 OUTLIER Glycine 0 CA--C 1.571 3.579 0 O-C-N 121.268 -0.895 . . . . 0.0 115.09 160.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.41 0 O-C-N 121.252 -1.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.329 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 38' ' ' VAL . 55.6 t 66.36 67.0 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.88 -90.91 0.07 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.237 -0.914 . . . . 0.0 109.697 -163.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.54 -54.1 27.47 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -16.72 63.47 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -178.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -76.34 -38.55 55.77 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.19 -0.944 . . . . 0.0 112.674 171.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.6 mt -62.78 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.202 -0.936 . . . . 0.0 110.229 171.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -32.63 74.25 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 176.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -81.26 -38.07 27.49 Favored 'General case' 0 N--CA 1.495 1.823 0 C-N-CA 124.192 0.997 . . . . 0.0 112.629 177.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.52 -47.43 73.12 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 166.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.517 ' HG2' HD13 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -73.96 -27.62 61.09 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.014 -1.054 . . . . 0.0 111.983 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -74.88 -26.21 59.5 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.284 -0.885 . . . . 0.0 109.97 178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -67.23 -52.11 44.98 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.936 -1.102 . . . . 0.0 112.473 160.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.5 m -69.98 -26.96 64.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.284 -0.885 . . . . 0.0 112.892 -163.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -79.95 -116.88 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.222 -0.924 . . . . 0.0 112.665 -162.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.08 -149.93 0.32 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.21 -0.931 . . . . 0.0 109.67 -168.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -56.43 -9.46 0.71 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.978 -1.076 . . . . 0.0 113.28 168.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 m120 78.16 108.49 0.07 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.201 -0.937 . . . . 0.0 113.204 154.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.23 -43.72 0.42 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.218 -0.926 . . . . 0.0 112.647 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.56 -53.86 0.07 OUTLIER Glycine 0 CA--C 1.571 3.562 0 O-C-N 121.178 -0.951 . . . . 0.0 115.234 172.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 21.5 mtt180 -113.39 162.41 16.13 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.263 -1.14 . . . . 0.0 113.915 -154.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.938 HG23 ' HB2' ' B' ' 62' ' ' GLU . 55.5 mt -108.21 149.33 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 176.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.2 p30 -115.33 -178.83 3.47 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 124.179 0.991 . . . . 0.0 112.81 166.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.484 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -63.98 -37.2 86.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 120.752 -1.218 . . . . 0.0 112.092 -168.109 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.61 -77.69 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.68 0 O-C-N 120.6 -1.312 . . . . 0.0 113.53 163.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.938 ' HB2' HG23 ' B' ' 58' ' ' ILE . 49.7 mm-40 -34.07 -42.59 0.13 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 171.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.599 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -54.73 -45.96 74.17 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.723 -1.235 . . . . 0.0 111.974 177.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.515 ' CD2' HD12 ' A' ' 7' ' ' LEU . 51.8 mt -64.09 -43.44 95.39 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.268 -0.895 . . . . 0.0 111.8 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -20.13 25.06 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.065 -1.022 . . . . 0.0 109.355 -171.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttm -68.98 -47.39 65.7 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 163.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 24.1 ttm -59.82 -47.01 87.45 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.219 -0.925 . . . . 0.0 110.541 177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.36 -71.76 0.25 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 64.11 25.36 69.49 Favored Glycine 0 CA--C 1.571 3.586 0 O-C-N 121.215 -0.928 . . . . 0.0 115.105 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.46 115.84 50.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.248 -1.149 . . . . 0.0 108.51 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -59.63 -45.63 91.42 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.281 -0.887 . . . . 0.0 111.749 -171.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.489 0 O-C-N 120.967 -1.083 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -164.77 93.6 0.65 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 123.669 0.788 . . . . 0.0 109.889 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.26 93.99 2.64 Favored 'General case' 0 N--CA 1.496 1.857 0 C-N-CA 123.999 0.92 . . . . 0.0 112.478 -160.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.2 pt-20 -108.83 -31.9 7.51 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.283 -0.885 . . . . 0.0 111.884 -174.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.05 -57.69 11.08 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -163.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.6 -22.45 62.54 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.942 1.089 . . . . 0.0 113.942 -175.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.728 HD12 ' CD2' ' B' ' 64' ' ' LEU . 4.4 mt -87.85 -21.42 25.03 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -0.933 . . . . 0.0 111.766 174.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.7 -51.58 18.75 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 165.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -51.03 -42.82 60.7 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.236 -0.915 . . . . 0.0 113.212 163.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -68.96 -38.65 79.55 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 177.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.855 ' HD2' ' CD2' ' B' ' 63' ' ' PHE . 45.3 t80 -75.38 -33.4 61.01 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.247 -0.908 . . . . 0.0 112.196 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -56.33 -62.5 1.68 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.149 -0.97 . . . . 0.0 112.925 158.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -59.49 -30.35 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.302 -0.874 . . . . 0.0 110.309 -165.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.816 ' CE2' HG21 ' A' ' 30' ' ' ILE . 5.7 m-30 -57.16 -58.17 9.37 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 124.022 0.929 . . . . 0.0 110.465 170.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -71.53 134.89 46.79 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.139 -0.976 . . . . 0.0 112.812 -168.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' HG2' ' OE1' ' A' ' 26' ' ' GLU . 3.0 mmmm -82.12 -38.1 25.29 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.124 -0.985 . . . . 0.0 109.391 -168.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.7 m120 -108.83 -21.15 12.8 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -166.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 77.51 43.22 0.11 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 161.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.88 -15.62 61.14 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.199 -0.938 . . . . 0.0 112.804 157.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.96 20.54 46.14 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.073 -1.017 . . . . 0.0 115.111 -175.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -119.3 161.26 20.73 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.288 -1.125 . . . . 0.0 111.713 170.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.6 mt -107.46 161.11 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.236 -0.915 . . . . 0.0 110.282 165.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -120.53 163.87 17.31 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.093 -1.004 . . . . 0.0 112.644 169.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.697 HD13 ' HG3' ' B' ' 47' ' ' MET . 0.2 OUTLIER -57.51 -36.3 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.308 -0.87 . . . . 0.0 110.154 175.025 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -71.29 -33.34 69.63 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.739 1.015 . . . . 0.0 113.739 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.661 ' O ' HD12 ' A' ' 30' ' ' ILE . 18.6 mt-10 -77.84 -37.53 48.24 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 173.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.686 HD23 HG23 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -43.92 -82.19 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.224 -0.922 . . . . 0.0 111.903 -179.021 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.74 -40.72 6.78 Favored Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.114 -0.991 . . . . 0.0 115.153 -173.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.621 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -76.53 -29.92 56.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.273 -1.133 . . . . 0.0 113.884 -177.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.816 HG21 ' CE2' ' A' ' 14' ' ' PHE . 6.0 mt -52.94 -64.02 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.25 -0.906 . . . . 0.0 110.199 161.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.54 -47.54 63.37 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 121.089 -1.007 . . . . 0.0 111.403 -175.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.66 -31.96 14.93 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.358 -0.839 . . . . 0.0 110.789 -164.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.621 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -89.04 149.38 23.26 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.2 p -135.29 95.06 3.21 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.231 -0.918 . . . . 0.0 109.865 -165.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.05 -174.2 26.19 Favored Glycine 0 CA--C 1.571 3.579 0 O-C-N 121.23 -0.919 . . . . 0.0 115.097 -169.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.23 -1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.34 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -148.95 92.31 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.5 -169.31 2.07 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.211 -0.931 . . . . 0.0 109.715 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.24 -48.81 55.33 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 169.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.8 -33.36 71.62 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -76.17 -41.11 50.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.185 -0.947 . . . . 0.0 112.647 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.686 HG23 HD23 ' A' ' 27' ' ' LEU . 6.0 mt -52.31 -51.61 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.11 -0.994 . . . . 0.0 110.134 170.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -36.13 79.37 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.52 -32.56 72.6 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.31 -0.869 . . . . 0.0 112.683 173.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.59 -45.98 91.82 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 164.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.697 ' HG3' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -82.88 -3.69 57.2 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.128 -0.982 . . . . 0.0 112.181 -176.238 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 -45.16 7.82 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.211 -0.931 . . . . 0.0 109.854 162.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -67.44 -40.57 85.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.599 -0.688 . . . . 0.0 112.449 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -79.63 -15.9 56.78 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.323 -0.861 . . . . 0.0 112.959 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.65 -176.34 1.93 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.147 -0.971 . . . . 0.0 112.701 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -142.84 -124.17 0.09 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.161 -0.962 . . . . 0.0 109.892 -162.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 40.4 p30 -77.73 19.41 0.39 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.2 m120 79.54 36.74 0.14 Allowed 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.277 1.031 . . . . 0.0 113.149 156.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.68 64.21 8.39 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.25 -0.906 . . . . 0.0 112.481 154.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -40.91 -37.72 1.46 Allowed Glycine 0 CA--C 1.572 3.604 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 -160.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.47 136.21 55.36 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.177 -1.19 . . . . 0.0 113.783 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.751 HG23 ' CB ' ' B' ' 62' ' ' GLU . 63.0 mt -103.19 152.39 5.99 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.156 -0.965 . . . . 0.0 110.156 -155.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -118.73 -174.75 2.75 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.126 -0.984 . . . . 0.0 112.745 169.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -47.79 82.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.95 -1.094 . . . . 0.0 112.183 -164.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.83 -77.72 0.02 OUTLIER 'General case' 0 CA--C 1.571 1.779 0 O-C-N 120.953 -1.092 . . . . 0.0 113.843 166.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.751 ' CB ' HG23 ' B' ' 58' ' ' ILE . 0.8 OUTLIER -26.82 -46.68 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.68 1.192 . . . . 0.0 113.778 172.098 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.855 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 1.8 t80 -55.68 -55.13 35.84 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.408 -0.807 . . . . 0.0 112.309 176.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.728 ' CD2' HD12 ' A' ' 7' ' ' LEU . 30.6 mt -57.37 -33.36 67.72 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.206 -0.934 . . . . 0.0 111.771 -173.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -40.27 15.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 176.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -57.44 -20.44 30.36 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 172.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.518 ' CE ' HD13 ' A' ' 7' ' ' LEU . 7.7 ttp -97.0 -45.52 6.55 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.234 -0.916 . . . . 0.0 110.545 174.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -77.49 -33.86 54.37 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 57.76 -170.21 4.0 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.201 -0.937 . . . . 0.0 115.106 -170.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.33 147.27 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.227 -1.16 . . . . 0.0 108.513 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -68.05 137.71 55.24 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.129 -0.982 . . . . 0.0 111.983 163.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.381 0 O-C-N 121.279 -0.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -145.77 173.0 12.48 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.504 -0.747 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -54.41 100.69 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.314 -0.866 . . . . 0.0 112.364 170.17 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 3' ' ' SER 0.257 1.6 mt-10 -154.38 -34.88 0.1 Allowed 'General case' 0 CA--C 1.576 1.944 0 O-C-N 121.28 -0.887 . . . . 0.0 111.972 -166.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 6' ' ' GLU . 18.3 tt0 -22.15 -61.84 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.039 0 C-N-CA 125.953 1.701 . . . . 0.0 115.192 -163.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG2' ' HG2' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -91.64 -12.59 33.76 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.929 -1.107 . . . . 0.0 113.941 -164.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 1.7 mt -86.52 -24.47 25.51 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.072 -1.017 . . . . 0.0 111.707 164.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -44.33 70.84 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 163.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -61.79 -39.38 91.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.201 -0.937 . . . . 0.0 113.313 166.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -61.21 -41.89 97.64 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 170.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.566 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 87.7 t80 -73.94 -37.19 64.64 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 112.05 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.792 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -71.51 -40.16 70.31 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.286 -0.884 . . . . 0.0 112.959 170.173 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 mm -65.4 -29.95 48.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.148 -0.97 . . . . 0.0 110.304 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.66 ' CD1' HD12 ' A' ' 30' ' ' ILE . 2.4 m-30 -68.39 -43.55 77.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.259 -0.9 . . . . 0.0 110.347 174.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -70.7 107.09 3.78 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.162 -0.961 . . . . 0.0 112.84 -166.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -92.12 20.08 6.25 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.181 -0.949 . . . . 0.0 110.192 -172.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.48 -19.08 0.48 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 65.28 45.09 3.02 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 159.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.07 -22.64 42.04 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.2 -0.937 . . . . 0.0 112.612 154.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.74 -19.56 4.71 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.23 -0.919 . . . . 0.0 115.342 -171.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -105.85 167.75 9.57 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.272 -1.134 . . . . 0.0 111.749 -157.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.505 HG23 ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -101.22 128.96 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.234 -0.916 . . . . 0.0 110.262 158.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -110.82 177.58 4.63 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.153 -0.967 . . . . 0.0 112.758 -168.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 tp -72.11 -31.39 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.18 -0.95 . . . . 0.0 110.293 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 -29.41 54.43 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.505 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -69.34 -50.78 43.18 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD22 HD23 ' A' ' 31' ' ' LEU . 1.8 tm? -38.68 -55.49 1.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 125.409 1.484 . . . . 0.0 112.102 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.87 -36.99 12.16 Favored Glycine 0 CA--C 1.572 3.603 0 O-C-N 121.094 -1.004 . . . . 0.0 115.095 -167.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -63.64 -45.6 89.47 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.191 -1.182 . . . . 0.0 113.881 169.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.66 HD12 ' CD1' ' A' ' 14' ' ' PHE . 1.4 mm -62.33 -65.43 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.153 -0.967 . . . . 0.0 110.274 175.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.552 HD23 HD22 ' A' ' 27' ' ' LEU . 3.3 pp -49.48 -22.86 1.32 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.217 -0.927 . . . . 0.0 111.539 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 39.9 ttm-85 -84.18 -81.45 0.18 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.249 -0.907 . . . . 0.0 110.796 166.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.92 -159.39 0.21 Allowed 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -160.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.0 p -149.57 152.54 35.68 Favored 'General case' 0 N--CA 1.496 1.834 0 C-N-CA 124.328 1.051 . . . . 0.0 109.837 173.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.02 -75.59 0.05 OUTLIER Glycine 0 CA--C 1.572 3.613 0 O-C-N 121.211 -0.93 . . . . 0.0 115.104 164.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.414 0 O-C-N 121.23 -1.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.345 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER 60.84 81.7 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.455 HG23 ' OD2' ' B' ' 42' ' ' ASP . 0.5 OUTLIER -81.21 156.08 25.83 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.196 -0.94 . . . . 0.0 109.668 -172.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.56 -40.43 42.48 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.3 -25.7 64.36 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.909 1.078 . . . . 0.0 113.909 177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.455 ' OD2' HG23 ' B' ' 39' ' ' THR . 60.6 m-20 -50.6 -60.95 2.51 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.188 -0.945 . . . . 0.0 112.615 162.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.37 -41.19 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.017 -1.052 . . . . 0.0 110.283 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -36.03 60.3 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -171.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.04 -26.58 65.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.314 -0.866 . . . . 0.0 112.66 166.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 53.2 tp -74.73 -46.35 37.97 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 172.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.02 50.94 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.053 -1.029 . . . . 0.0 112.051 169.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -91.51 -27.89 17.94 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.296 -0.878 . . . . 0.0 110.26 168.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -67.03 -57.74 6.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.114 -0.991 . . . . 0.0 112.388 171.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.6 m -67.79 -38.42 83.33 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.157 -0.965 . . . . 0.0 112.905 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -71.02 149.45 46.59 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.193 -0.942 . . . . 0.0 112.678 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.41 -109.43 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.116 -0.99 . . . . 0.0 110.036 159.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -71.9 -20.33 61.8 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.881 -1.137 . . . . 0.0 113.426 -154.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 m120 63.95 72.34 0.46 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.214 -0.929 . . . . 0.0 113.274 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.57 8.18 37.88 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.235 -0.916 . . . . 0.0 112.899 157.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.35 -6.54 55.85 Favored Glycine 0 CA--C 1.571 3.566 0 O-C-N 120.532 -1.355 . . . . 0.0 115.383 162.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.9 mtm180 -157.29 141.65 16.42 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.05 -1.265 . . . . 0.0 113.851 -164.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.88 HG23 ' HB2' ' B' ' 62' ' ' GLU . 73.9 mt -108.53 126.41 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.141 -0.974 . . . . 0.0 110.191 -163.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -98.65 176.86 5.49 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.082 -1.011 . . . . 0.0 112.759 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.566 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 67.1 t80 -65.17 -33.76 76.77 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.993 -1.067 . . . . 0.0 112.029 -161.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.36 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.677 0 O-C-N 120.66 -1.275 . . . . 0.0 113.541 159.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.88 ' HB2' HG23 ' B' ' 58' ' ' ILE . 24.9 mt-10 -44.41 -20.46 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 174.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 6.2 t80 -63.4 -58.03 8.38 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 119.728 -1.858 . . . . 0.0 112.023 163.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 78.2 mt -57.95 -23.05 51.96 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.23 -0.919 . . . . 0.0 111.705 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mtmt -92.17 -35.14 14.01 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.182 -0.949 . . . . 0.0 109.475 172.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.9 ttt -59.86 -12.71 8.13 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 169.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.409 ' CE ' ' CD2' ' A' ' 7' ' ' LEU . 3.8 mtt -87.6 -54.75 4.11 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 123.998 0.919 . . . . 0.0 110.562 154.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.18 -13.12 53.64 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -156.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -63.42 -95.98 0.02 OUTLIER Glycine 0 CA--C 1.571 3.541 0 O-C-N 121.256 -0.903 . . . . 0.0 115.152 -168.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.82 103.32 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.187 -1.184 . . . . 0.0 108.533 -158.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -150.52 -91.17 0.06 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.195 -0.941 . . . . 0.0 112.066 -163.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.407 0 O-C-N 121.18 -0.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.352 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.54 108.6 0.08 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.487 -0.758 . . . . 0.0 110.039 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.6 -154.13 0.53 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.283 -0.886 . . . . 0.0 112.427 -155.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.255 3.0 mp0 -137.07 24.45 3.02 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.231 -0.918 . . . . 0.0 111.771 -161.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -52.24 -62.19 1.79 Allowed 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -160.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.52 -21.43 18.88 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -171.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.41 -25.45 62.34 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.241 1.017 . . . . 0.0 111.823 163.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -50.7 17.9 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -46.1 -46.65 17.12 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.216 -0.928 . . . . 0.0 113.309 161.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.4 -41.13 61.45 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.815 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 67.7 t80 -70.01 -32.19 70.23 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.344 -0.848 . . . . 0.0 112.023 177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.05 -39.31 61.01 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 124.021 0.928 . . . . 0.0 112.99 168.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -56.65 -37.54 53.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.102 -0.999 . . . . 0.0 110.269 174.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.647 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 2.6 m-30 -62.78 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.259 -0.901 . . . . 0.0 110.385 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -48.86 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.207 -0.933 . . . . 0.0 112.85 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 22.32 0.81 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.147 -0.97 . . . . 0.0 109.755 -163.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.408 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.4 OUTLIER -147.04 -33.4 0.29 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 165.314 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.03 55.51 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 154.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -72.81 -6.18 43.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.214 -0.929 . . . . 0.0 112.944 154.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.36 10.6 44.29 Favored Glycine 0 CA--C 1.572 3.62 0 O-C-N 120.682 -1.261 . . . . 0.0 115.356 171.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.5 m-30 -113.98 165.62 12.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.093 -1.239 . . . . 0.0 111.614 175.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.62 161.23 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 C-N-CA 124.269 1.027 . . . . 0.0 110.222 161.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -135.37 166.64 22.69 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.127 -0.983 . . . . 0.0 112.723 177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.449 HD11 ' HA ' ' B' ' 44' ' ' GLU . 0.8 OUTLIER -78.18 -27.12 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.288 -0.883 . . . . 0.0 110.278 -173.135 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -68.52 -36.19 78.53 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.087 -1.008 . . . . 0.0 113.695 169.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' O ' HD13 ' A' ' 30' ' ' ILE . 76.1 mt-10 -71.42 -23.86 61.93 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 175.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.934 HD23 HG23 ' B' ' 43' ' ' ILE . 8.2 tp -59.9 -34.35 73.07 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.165 -0.96 . . . . 0.0 111.923 -170.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.25 -27.59 36.2 Favored Glycine 0 CA--C 1.572 3.642 0 O-C-N 121.095 -1.003 . . . . 0.0 115.074 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -79.78 -40.36 28.85 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.271 -1.134 . . . . 0.0 113.862 171.017 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.435 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -41.36 -63.89 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.01 -1.057 . . . . 0.0 110.11 159.261 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.63 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.5 pp -80.96 -12.92 59.3 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.724 -165.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.57 32.82 5.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.211 -0.931 . . . . 0.0 110.831 172.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -90.26 163.16 14.88 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 165.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.5 m -134.66 93.81 3.09 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.21 -0.931 . . . . 0.0 109.887 164.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.69 116.52 0.72 Allowed Glycine 0 CA--C 1.572 3.619 0 O-C-N 121.181 -0.949 . . . . 0.0 115.105 166.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.406 0 O-C-N 121.264 -1.139 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.371 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 6.8 p -160.87 123.41 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.99 -163.58 1.66 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.181 -0.95 . . . . 0.0 109.725 161.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -15.78 13.98 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 155.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.89 -34.48 78.05 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -80.18 -37.67 32.81 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.258 -0.901 . . . . 0.0 112.668 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.934 HG23 HD23 ' A' ' 27' ' ' LEU . 3.6 mm -58.84 -45.99 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.166 -0.959 . . . . 0.0 110.189 168.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.449 ' HA ' HD11 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -66.18 -37.8 86.5 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -175.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . 0.436 ' HA ' ' CG ' ' B' ' 48' ' ' LYS . 1.2 m-20 -70.73 -34.86 72.34 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.872 0.869 . . . . 0.0 112.664 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.816 HD22 HD21 ' A' ' 27' ' ' LEU . 8.1 tt -56.67 -48.24 78.05 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.416 ' CE ' HG13 ' B' ' 58' ' ' ILE . 5.8 ttt -99.09 15.26 26.46 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 120.874 -1.142 . . . . 0.0 112.116 -171.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' B' ' 45' ' ' ASP . 0.0 OUTLIER -102.13 -34.43 9.29 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 123.982 0.913 . . . . 0.0 109.97 156.106 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -67.21 -40.58 86.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.639 -0.663 . . . . 0.0 112.489 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.71 -33.01 20.15 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.192 -0.943 . . . . 0.0 112.887 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -82.56 106.59 14.54 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.189 -0.945 . . . . 0.0 112.687 -157.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.64 26.6 8.66 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 155.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -81.22 18.75 1.03 Allowed 'General case' 0 CA--C 1.578 2.034 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 162.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 4.6 m120 62.51 105.9 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 C-N-CA 124.25 1.02 . . . . 0.0 113.022 -167.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -18.21 33.98 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 124.284 1.034 . . . . 0.0 112.767 -154.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -41.2 -57.53 3.05 Favored Glycine 0 CA--C 1.571 3.578 0 O-C-N 121.189 -0.944 . . . . 0.0 115.11 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -162.57 154.13 18.07 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.226 -1.161 . . . . 0.0 114.122 -167.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.867 HG23 ' HB2' ' B' ' 62' ' ' GLU . 14.7 mt -106.48 161.74 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 124.199 1.0 . . . . 0.0 110.249 -178.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -137.8 -175.22 4.01 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.014 -1.054 . . . . 0.0 112.837 172.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.473 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -64.46 -30.68 71.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.774 -1.204 . . . . 0.0 112.066 -162.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -48.05 -84.09 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 125.016 2.341 . . . . 0.0 111.245 167.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.868 ' HA ' ' HG2' ' B' ' 65' ' ' LYS . 17.5 mm-40 -26.35 -35.49 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.723 0 CA-C-N 113.818 -1.537 . . . . 0.0 113.845 167.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.815 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 55.1 t80 -59.29 -55.96 28.21 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.991 -1.068 . . . . 0.0 111.691 173.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 13.6 mt -50.44 -40.08 49.46 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.651 1.18 . . . . 0.0 111.8 172.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.868 ' HG2' ' HA ' ' B' ' 62' ' ' GLU . 0.2 OUTLIER -84.26 -33.18 24.09 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.982 -1.074 . . . . 0.0 109.423 -170.354 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.3 ttp -81.85 -23.89 36.12 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptm -89.2 -28.74 19.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.253 -0.904 . . . . 0.0 110.585 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -89.22 -32.14 17.57 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.94 93.69 1.28 Allowed Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.061 -1.024 . . . . 0.0 115.113 160.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.9 t -95.4 -172.84 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.227 -1.161 . . . . 0.0 108.535 172.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -29.78 -87.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.272 -0.892 . . . . 0.0 111.977 158.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.414 0 O-C-N 121.176 -0.952 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.323 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -78.6 106.17 10.39 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.519 -0.738 . . . . 0.0 110.008 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -77.58 113.34 15.31 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.298 -0.876 . . . . 0.0 112.387 -171.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 1.9 mt-10 -80.14 -24.69 40.26 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.221 -0.924 . . . . 0.0 111.95 -170.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.04 -56.65 5.7 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 -156.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.09 -50.07 72.05 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 174.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -37.54 49.42 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.216 -0.927 . . . . 0.0 111.691 172.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -60.27 2.33 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -41.9 -48.84 4.52 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.318 -0.864 . . . . 0.0 113.293 169.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.81 84.5 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.441 ' HE2' ' O ' ' A' ' 20' ' ' GLY . 74.0 t80 -71.58 -30.67 66.1 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.294 -0.879 . . . . 0.0 112.138 -175.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 23.2 mtp180 -77.11 -38.48 52.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 112.929 170.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.28 -27.03 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.281 -0.887 . . . . 0.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -76.7 -47.78 20.92 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.285 -0.885 . . . . 0.0 110.396 173.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -73.24 96.11 2.22 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.219 -0.925 . . . . 0.0 112.837 -165.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 26.07 4.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.192 -0.942 . . . . 0.0 109.528 -168.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -129.43 -37.86 1.59 Allowed 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 161.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 78.94 41.03 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 154.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -64.48 -23.6 67.33 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.209 -0.932 . . . . 0.0 112.658 155.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' HE2' ' A' ' 11' ' ' PHE . . . 135.1 -40.18 1.59 Allowed Glycine 0 CA--C 1.571 3.592 0 O-C-N 121.235 -0.916 . . . . 0.0 115.213 -166.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.37 162.63 31.32 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.351 -1.088 . . . . 0.0 111.788 -160.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -104.5 148.96 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.873 1.269 . . . . 0.0 110.215 -165.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -127.13 164.76 20.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.101 -0.999 . . . . 0.0 112.73 -177.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -23.1 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.297 -0.877 . . . . 0.0 110.299 -175.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.12 -36.92 55.14 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 171.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.698 ' O ' HD13 ' A' ' 30' ' ' ILE . 78.2 mt-10 -68.63 -25.28 64.77 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 175.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.612 ' C ' HD13 ' A' ' 27' ' ' LEU . 2.5 tm? -65.07 -58.6 5.64 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.216 -0.928 . . . . 0.0 111.833 -170.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.67 -37.21 33.65 Favored Glycine 0 CA--C 1.571 3.594 0 O-C-N 121.118 -0.988 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 10.3 mt-10 -79.55 -22.24 44.09 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.233 -1.157 . . . . 0.0 113.881 -177.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -57.53 -67.01 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -0.959 . . . . 0.0 110.23 155.385 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.571 HD21 HG12 ' B' ' 43' ' ' ILE . 3.7 pp -69.48 -20.01 63.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.099 -1.001 . . . . 0.0 111.75 -167.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HB2' HD12 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -129.89 27.33 5.18 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.166 -0.959 . . . . 0.0 110.841 178.464 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -51.62 -85.67 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 165.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 p -89.56 142.74 27.4 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.216 -0.928 . . . . 0.0 109.716 -173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -107.24 -137.62 8.53 Favored Glycine 0 CA--C 1.572 3.615 0 O-C-N 121.254 -0.904 . . . . 0.0 115.088 166.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.241 -1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.342 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p 41.07 84.87 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 19.8 p -115.01 -166.94 1.16 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.191 -0.943 . . . . 0.0 109.748 -168.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -77.47 -23.92 50.31 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -170.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -19.62 64.83 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 172.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -72.03 -43.76 64.48 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.243 -0.911 . . . . 0.0 112.686 166.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.571 HG12 HD21 ' A' ' 31' ' ' LEU . 2.0 mp -53.05 -55.52 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.043 -1.036 . . . . 0.0 110.124 169.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.59 -36.27 83.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.076 -1.015 . . . . 0.0 113.723 -173.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -63.74 -36.58 84.35 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.292 -0.88 . . . . 0.0 112.683 167.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.84 -46.15 72.61 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.699 ' C ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -83.96 -18.74 36.25 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.053 -1.029 . . . . 0.0 112.1 -174.415 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.699 ' HE3' ' C ' ' B' ' 47' ' ' MET . 0.0 OUTLIER -84.69 -39.13 18.92 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.212 -0.93 . . . . 0.0 109.81 173.45 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.535 -0.728 . . . . 0.0 112.465 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 32.2 t -65.34 -58.35 6.12 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.25 -0.906 . . . . 0.0 112.884 172.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -58.18 154.06 13.83 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.24 -0.912 . . . . 0.0 112.648 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.76 -122.89 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.209 -0.932 . . . . 0.0 109.939 -177.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -70.2 5.99 1.47 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.024 -1.048 . . . . 0.0 113.546 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 m120 67.79 81.73 0.19 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.88 -1.137 . . . . 0.0 113.252 165.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.97 -38.78 22.23 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.211 -0.931 . . . . 0.0 112.652 172.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.85 7.9 0.7 Allowed Glycine 0 CA--C 1.571 3.57 0 O-C-N 121.211 -0.931 . . . . 0.0 115.366 159.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.4 167.07 22.97 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.209 -1.171 . . . . 0.0 114.046 -178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.653 HG23 ' HB2' ' B' ' 62' ' ' GLU . 73.4 mt -114.44 129.66 70.09 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.096 0.958 . . . . 0.0 110.29 160.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -120.96 175.78 5.89 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.309 -1.494 . . . . 0.0 112.794 169.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -58.09 -33.77 69.44 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.76 -1.213 . . . . 0.0 111.992 -155.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.27 -78.24 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 O-C-N 120.779 -1.201 . . . . 0.0 113.702 161.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.653 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.9 mt-10 -35.64 -30.18 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.627 ' HD1' ' CE ' ' B' ' 66' ' ' MET . 22.1 t80 -62.44 -50.55 71.05 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 120.35 -1.469 . . . . 0.0 111.848 172.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.45 -23.83 67.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.294 -0.879 . . . . 0.0 111.809 -177.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -87.35 -53.54 4.77 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.148 -0.97 . . . . 0.0 109.357 172.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.627 ' CE ' ' HD1' ' B' ' 63' ' ' PHE . 0.9 OUTLIER -41.05 -42.06 1.85 Allowed 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 177.482 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 32.9 ttm -96.91 -52.47 3.86 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.29 -0.881 . . . . 0.0 110.611 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -127.43 34.46 4.69 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -165.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.58 169.74 40.65 Favored Glycine 0 CA--C 1.572 3.629 0 O-C-N 121.295 -0.878 . . . . 0.0 115.116 163.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -86.27 160.73 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.271 -1.135 . . . . 0.0 108.527 -162.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -146.92 -92.23 0.09 Allowed 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.293 -0.88 . . . . 0.0 112.02 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.217 -0.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.391 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.4 92.04 8.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.479 -0.763 . . . . 0.0 110.034 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.72 158.45 26.46 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.183 -0.948 . . . . 0.0 112.532 177.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 26.9 mp0 -132.28 26.81 4.49 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.266 -0.896 . . . . 0.0 111.791 -179.289 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.76 -55.86 29.59 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -179.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -91.27 -21.78 20.9 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -167.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.613 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 2.5 mt -81.52 -22.09 38.16 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.075 0.95 . . . . 0.0 111.709 169.258 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.81 -43.67 29.79 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 167.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -54.77 -38.14 66.86 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.262 -0.899 . . . . 0.0 113.268 158.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -75.33 -47.65 26.77 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -179.142 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.805 ' HD2' ' CD1' ' B' ' 63' ' ' PHE . 52.3 t80 -65.85 -34.93 79.27 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 123.698 0.799 . . . . 0.0 112.143 175.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -66.9 -48.34 69.01 Favored 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.296 1.038 . . . . 0.0 112.952 170.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mm -67.91 -32.14 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 C-N-CA 124.173 0.989 . . . . 0.0 110.288 -169.896 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.39 -62.97 1.39 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.324 -0.86 . . . . 0.0 110.443 165.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -47.65 144.43 3.23 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.099 -1.001 . . . . 0.0 112.822 -169.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -119.4 38.92 3.73 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.095 -1.003 . . . . 0.0 109.206 -173.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.13 -26.71 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 170.001 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.86 40.43 0.19 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 160.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -93.09 9.59 35.22 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.264 -0.897 . . . . 0.0 112.84 156.275 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 23.31 60.79 Favored Glycine 0 CA--C 1.572 3.619 0 O-C-N 120.928 -1.107 . . . . 0.0 115.067 173.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -114.14 168.87 9.45 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.185 -1.185 . . . . 0.0 111.702 169.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.655 HG23 ' HG2' ' A' ' 26' ' ' GLU . 20.7 mt -131.94 116.32 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 C-N-CA 124.303 1.041 . . . . 0.0 110.213 174.731 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.06 162.27 13.95 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.921 -1.112 . . . . 0.0 112.72 -168.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.463 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 6.4 tt -51.98 -32.34 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.163 -0.961 . . . . 0.0 110.052 168.775 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -77.35 -19.62 56.03 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 -173.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.655 ' HG2' HG23 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.82 -49.37 62.61 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 164.143 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tp -42.03 -86.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 C-N-CA 125.648 1.579 . . . . 0.0 112.099 -169.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -45.31 -39.73 7.42 Favored Glycine 0 CA--C 1.571 3.577 0 O-C-N 121.143 -0.973 . . . . 0.0 115.155 -162.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -78.86 -34.99 44.51 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.273 -1.134 . . . . 0.0 113.9 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mm -50.6 -72.66 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.172 159.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 32' ' ' ARG . 3.1 pp -55.33 -27.24 45.78 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.221 -0.924 . . . . 0.0 111.587 -167.369 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.502 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.1 tpm_? -86.29 -73.86 0.44 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.262 -0.899 . . . . 0.0 110.86 178.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.09 -12.52 61.01 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -155.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 m -61.04 114.9 3.35 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.262 -0.899 . . . . 0.0 109.806 -173.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.04 128.63 1.0 Allowed Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.195 -0.94 . . . . 0.0 115.137 -163.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.4 0 O-C-N 121.242 -1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.419 HG12 HD11 ' B' ' 43' ' ' ILE . 19.8 t -83.58 110.22 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.682 ' O ' HD13 ' B' ' 43' ' ' ILE . 23.2 p -106.39 -174.68 2.59 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.224 -0.922 . . . . 0.0 109.766 -179.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -38.39 78.09 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 168.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -68.81 -45.03 72.28 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -173.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -56.63 -40.19 74.98 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.204 -0.935 . . . . 0.0 112.671 168.5 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.682 HD13 ' O ' ' B' ' 39' ' ' THR . 1.3 mp -60.13 -61.6 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.228 -0.92 . . . . 0.0 110.179 176.231 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.42 -29.72 70.77 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 113.834 1.049 . . . . 0.0 113.834 -172.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -73.31 -29.4 62.67 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 123.96 0.904 . . . . 0.0 112.703 172.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.547 HD13 ' C ' ' B' ' 46' ' ' LEU . 3.0 tm? -73.14 -47.68 41.94 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 173.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.463 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 15.3 tpt -64.28 -40.36 95.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.027 -1.046 . . . . 0.0 112.109 175.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.8 -23.44 36.53 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.297 -0.877 . . . . 0.0 110.187 -173.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -67.09 -47.58 70.81 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.614 -1.304 . . . . 0.0 112.501 162.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.1 t -69.41 -35.17 75.49 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.097 -1.002 . . . . 0.0 112.718 -166.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . 0.412 ' HB3' ' ND2' ' B' ' 54' ' ' ASN . 15.8 t0 -74.51 160.78 30.47 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.171 -0.956 . . . . 0.0 112.68 -170.078 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' B' ' 52' ' ' LYS . 0.0 OUTLIER -63.7 -135.79 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.177 -0.952 . . . . 0.0 109.812 162.845 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.12 6.06 1.42 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.69 -1.256 . . . . 0.0 113.493 -165.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' B' ' 51' ' ' ASP . 1.2 m120 70.93 58.19 0.2 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.849 -1.157 . . . . 0.0 113.265 165.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -69.14 -55.14 11.57 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 112.629 159.128 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.01 -24.44 0.25 Allowed Glycine 0 CA--C 1.571 3.587 0 O-C-N 121.216 -0.927 . . . . 0.0 115.135 169.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -112.72 157.78 20.87 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.288 -1.125 . . . . 0.0 113.874 -162.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.76 HG23 ' HB2' ' B' ' 62' ' ' GLU . 80.4 mt -108.52 146.75 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.205 -0.934 . . . . 0.0 110.228 176.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -109.25 -173.8 2.35 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 124.129 0.972 . . . . 0.0 112.785 174.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.554 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -71.05 -41.24 71.02 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.76 -1.213 . . . . 0.0 112.01 -170.429 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.56 -79.49 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 O-C-N 120.575 -1.328 . . . . 0.0 113.514 162.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.76 ' HB2' HG23 ' B' ' 58' ' ' ILE . 12.9 mt-10 -37.4 -30.43 0.03 OUTLIER 'General case' 0 CA--C 1.573 1.831 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.352 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.805 ' CD1' ' HD2' ' A' ' 11' ' ' PHE . 58.9 t80 -58.44 -54.96 41.17 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.212 -1.555 . . . . 0.0 111.921 170.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.7 mt -53.86 -34.49 59.53 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 124.031 0.932 . . . . 0.0 111.695 176.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -78.93 -54.21 6.28 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.216 -0.928 . . . . 0.0 109.296 178.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' B' ' 66' ' ' MET . 1.8 ttm -45.91 -20.05 0.08 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 172.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 47.8 ttm -93.35 -71.7 0.64 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.119 -0.988 . . . . 0.0 110.527 175.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.32 -21.76 49.12 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -167.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -52.44 -92.25 0.01 OUTLIER Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.258 -0.901 . . . . 0.0 115.081 -169.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -114.1 117.4 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.22 -1.165 . . . . 0.0 108.518 -172.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -94.02 99.06 11.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.203 -0.936 . . . . 0.0 111.969 169.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.39 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.26 142.76 29.52 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.495 -0.753 . . . . 0.0 109.998 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.55 42.22 1.23 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.219 -0.925 . . . . 0.0 112.429 178.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.8 OUTLIER -144.04 -34.28 0.39 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.248 -0.908 . . . . 0.0 111.826 -165.295 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -61.64 -19.76 62.64 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.75 -44.52 9.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -175.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.588 HD22 HD23 ' B' ' 64' ' ' LEU . 0.8 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.19 -0.944 . . . . 0.0 111.703 163.239 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.92 -67.16 0.46 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 167.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -37.7 -55.02 1.18 Allowed 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 123.98 0.912 . . . . 0.0 113.289 160.149 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -62.34 -42.24 99.22 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -178.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.577 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 65.7 t80 -70.36 -33.14 71.1 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.151 -0.968 . . . . 0.0 112.103 177.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -70.7 -38.28 73.66 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.117 -0.989 . . . . 0.0 112.902 171.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -82.21 -31.61 10.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.117 -0.99 . . . . 0.0 110.178 -166.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -57.94 -36.83 73.07 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 124.026 0.93 . . . . 0.0 110.471 168.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -67.71 156.33 37.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.137 -0.977 . . . . 0.0 112.761 -172.075 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -103.85 -66.65 0.94 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.176 -0.952 . . . . 0.0 109.301 162.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 8.0 p-10 -79.67 -40.49 28.95 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 -159.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.31 56.43 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 155.21 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -98.55 22.27 10.08 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.216 -0.927 . . . . 0.0 112.713 155.575 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.64 9.64 68.58 Favored Glycine 0 CA--C 1.573 3.667 0 O-C-N 121.174 -0.954 . . . . 0.0 115.05 169.065 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -117.74 156.98 27.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.331 -1.099 . . . . 0.0 111.679 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -106.05 139.61 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.227 161.603 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -118.25 171.06 8.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.175 -0.953 . . . . 0.0 112.713 -171.06 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 tt -72.36 -31.05 37.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.265 -0.897 . . . . 0.0 110.206 -174.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -31.85 68.85 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 172.547 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.54 -19.83 57.51 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 171.057 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' CD2' HD11 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -70.26 -71.98 0.22 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.257 -0.902 . . . . 0.0 111.865 -165.808 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -41.32 -26.65 0.21 Allowed Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.181 -0.949 . . . . 0.0 115.17 165.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.69 -46.02 20.01 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.262 -1.14 . . . . 0.0 113.862 -172.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.1 mm -54.62 -57.64 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.229 161.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 27' ' ' LEU . 2.0 mt -81.7 6.07 16.43 Favored 'General case' 0 CA--C 1.573 1.848 0 O-C-N 121.023 -1.048 . . . . 0.0 111.493 -171.053 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.98 42.13 0.45 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.203 -0.935 . . . . 0.0 110.842 167.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.08 -77.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 173.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 26.1 p -98.65 167.42 10.8 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.226 -0.921 . . . . 0.0 109.776 -165.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 171.22 -90.08 0.09 OUTLIER Glycine 0 CA--C 1.572 3.61 0 O-C-N 121.171 -0.955 . . . . 0.0 115.089 159.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.202 -1.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.34 93.73 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.29 157.55 44.21 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.182 -0.949 . . . . 0.0 109.71 -166.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -37.41 87.36 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 169.035 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -13.08 25.41 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -79.02 -43.97 23.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.236 -0.915 . . . . 0.0 112.648 175.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 27' ' ' LEU . 3.7 mt -59.77 -41.86 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.201 -0.937 . . . . 0.0 110.199 167.434 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.542 ' CD ' ' HE3' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -74.89 -30.65 61.36 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.075 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.25 -28.86 64.46 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 123.944 0.897 . . . . 0.0 112.755 166.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 3.2 tp -72.11 -42.89 65.55 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 173.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.411 ' CE ' HD11 ' B' ' 58' ' ' ILE . 7.5 tpt -92.08 12.05 23.32 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.156 -0.965 . . . . 0.0 112.107 171.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.542 ' HE3' ' CD ' ' B' ' 44' ' ' GLU . 0.0 OUTLIER -91.49 -43.1 9.89 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.28 -0.888 . . . . 0.0 109.907 159.803 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -67.46 -45.94 74.5 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.509 -0.744 . . . . 0.0 112.469 176.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 7.8 t -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.295 -0.878 . . . . 0.0 112.89 -177.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -65.41 161.57 19.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.259 -0.901 . . . . 0.0 112.656 -178.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -117.6 -119.12 0.31 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.193 -0.942 . . . . 0.0 109.924 -178.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -79.03 20.28 0.49 Allowed 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 161.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m120 76.29 41.54 0.21 Allowed 'General case' 0 CA--C 1.572 1.818 0 C-N-CA 124.894 1.278 . . . . 0.0 113.169 163.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -81.97 59.29 4.27 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.432 1.093 . . . . 0.0 112.527 153.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -45.65 -28.52 2.54 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.24 -0.912 . . . . 0.0 115.24 -161.04 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.68 126.1 26.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.21 -1.171 . . . . 0.0 113.838 -179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.96 HG23 ' HB2' ' B' ' 62' ' ' GLU . 42.9 mt -105.1 148.02 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 124.118 0.967 . . . . 0.0 110.171 -161.387 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -116.99 -173.38 2.39 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.25 1.02 . . . . 0.0 112.839 171.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -58.08 -36.18 72.46 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.91 -1.119 . . . . 0.0 112.128 -171.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.28 -84.48 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.16 0 CA-C-O 124.898 2.285 . . . . 0.0 111.381 173.176 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.96 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.3 mm-40 -23.96 -38.48 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.692 0 C-N-CA 125.617 1.567 . . . . 0.0 113.768 166.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.577 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 50.4 t80 -61.78 -54.01 48.12 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.337 -0.852 . . . . 0.0 112.063 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.588 HD23 HD22 ' A' ' 7' ' ' LEU . 42.8 mt -55.78 -31.97 63.07 Favored 'General case' 0 N--CA 1.497 1.916 0 C-N-CA 124.095 0.958 . . . . 0.0 111.874 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -85.08 -45.98 11.58 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.057 -1.027 . . . . 0.0 109.385 178.371 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 7.8 tmm? -56.92 -29.91 63.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 12.6 ttp -87.18 -71.75 0.55 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.177 -0.952 . . . . 0.0 110.597 165.551 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -26.53 62.0 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -162.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -39.57 108.88 0.1 Allowed Glycine 0 CA--C 1.571 3.568 0 O-C-N 121.163 -0.961 . . . . 0.0 115.098 168.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -95.31 157.0 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.264 -1.139 . . . . 0.0 108.534 -162.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -63.91 149.41 47.21 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.157 -0.964 . . . . 0.0 111.962 167.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.438 0 O-C-N 121.196 -0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.306 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.64 105.18 1.41 Allowed 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.923 0.889 . . . . 0.0 110.02 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.19 7.04 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.311 -0.868 . . . . 0.0 112.361 174.386 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 24.5 tt0 -157.36 -44.37 0.07 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.236 -0.915 . . . . 0.0 111.802 -168.19 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.4 tt0 -45.73 -62.97 1.08 Allowed 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -170.084 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -86.64 -13.81 44.49 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -164.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 HD13 ' HE1' ' B' ' 67' ' ' MET . 0.1 OUTLIER -77.75 -28.21 50.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 111.721 162.454 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -66.89 -61.19 2.07 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -43.39 -46.4 6.59 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.238 165.214 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' O ' ' HD1' ' A' ' 14' ' ' PHE . . . -60.55 -36.15 77.77 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 170.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CD1' ' CD2' ' B' ' 63' ' ' PHE . 13.1 t80 -71.33 -32.87 69.1 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.204 -0.935 . . . . 0.0 112.121 -176.547 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -80.06 -33.46 38.98 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.172 -0.955 . . . . 0.0 112.924 169.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mm -68.51 -33.86 62.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.165 0.986 . . . . 0.0 110.249 -175.255 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.759 ' HE2' HG21 ' A' ' 30' ' ' ILE . 23.5 m-85 -56.59 -53.05 62.12 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.326 -0.859 . . . . 0.0 110.404 159.509 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -71.02 142.04 50.93 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.14 -0.975 . . . . 0.0 112.753 -161.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -63.93 -57.08 10.86 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.089 -1.007 . . . . 0.0 109.161 -173.718 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -131.91 7.21 4.35 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -163.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 63.44 52.96 2.23 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 157.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -86.74 -8.54 57.29 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.237 -0.914 . . . . 0.0 112.748 164.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.68 -19.33 7.5 Favored Glycine 0 CA--C 1.572 3.612 0 O-C-N 121.118 -0.989 . . . . 0.0 115.244 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -112.43 161.35 16.8 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.253 -1.146 . . . . 0.0 111.738 -163.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.702 HG23 ' CG ' ' A' ' 26' ' ' GLU . 92.5 mt -120.13 131.43 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.149 -0.97 . . . . 0.0 110.275 165.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -110.09 176.39 5.07 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 112.767 -166.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -27.6 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.144 -0.972 . . . . 0.0 110.255 171.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -70.22 -37.16 74.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.942 -1.099 . . . . 0.0 113.716 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.702 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -74.17 -49.78 22.11 Favored 'General case' 0 CA--C 1.574 1.872 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -176.682 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.411 HD22 HG23 ' B' ' 43' ' ' ILE . 8.1 tt -46.86 -58.09 4.27 Favored 'General case' 0 N--CA 1.496 1.849 0 C-N-CA 125.333 1.453 . . . . 0.0 111.952 -170.295 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.95 -35.54 32.52 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.108 -0.995 . . . . 0.0 115.072 -177.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -80.56 -28.42 37.22 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.263 -1.14 . . . . 0.0 113.877 177.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.759 HG21 ' HE2' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -54.83 -63.74 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.27 -0.894 . . . . 0.0 110.196 165.055 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 HD11 ' B' ' 43' ' ' ILE . 1.7 mt -53.75 -43.41 69.11 Favored 'General case' 0 CA--C 1.574 1.903 0 O-C-N 121.082 -1.012 . . . . 0.0 111.296 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -85.18 -57.9 2.9 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.443 -0.786 . . . . 0.0 110.836 -171.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.25 -2.3 34.15 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.719 1.378 . . . . 0.0 114.719 -159.824 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.16 157.82 43.29 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.291 -0.881 . . . . 0.0 109.861 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 93.55 36.56 5.83 Favored Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.238 -0.913 . . . . 0.0 115.125 165.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.423 0 O-C-N 121.232 -1.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.35 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -156.71 102.11 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.1 170.12 8.9 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.208 -0.933 . . . . 0.0 109.749 -170.3 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.12 -24.49 67.71 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 163.348 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -66.34 -38.0 86.62 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 176.522 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.15 -43.07 75.05 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.168 -0.958 . . . . 0.0 112.62 -178.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.518 HD11 HD12 ' A' ' 31' ' ' LEU . 1.7 mp -63.18 -52.3 60.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.173 -0.954 . . . . 0.0 110.24 172.81 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -40.42 96.19 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 -176.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -63.92 -44.19 93.65 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.33 -0.856 . . . . 0.0 112.683 174.596 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.68 ' O ' HD22 ' B' ' 46' ' ' LEU . 0.2 OUTLIER -71.64 -49.32 41.1 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -176.732 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.9 tpt -65.38 -43.87 89.35 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.943 -1.098 . . . . 0.0 112.078 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.23 -19.8 29.43 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.324 -0.86 . . . . 0.0 110.313 -169.696 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.9 -53.51 31.37 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.509 -1.37 . . . . 0.0 112.45 159.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.3 m -64.66 -16.73 63.26 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.271 -0.893 . . . . 0.0 112.881 -178.191 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -73.51 149.67 42.11 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.13 -0.981 . . . . 0.0 112.612 -174.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.0 -142.18 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.134 -0.979 . . . . 0.0 110.081 156.452 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -74.78 13.21 0.67 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.977 -1.077 . . . . 0.0 113.468 -162.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 75.48 35.49 0.55 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.02 -1.05 . . . . 0.0 113.215 159.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.5 54.33 1.89 Allowed 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.25 1.02 . . . . 0.0 112.616 154.454 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -147.85 74.84 0.28 Allowed Glycine 0 CA--C 1.572 3.634 0 O-C-N 121.171 -0.956 . . . . 0.0 115.106 -162.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -42.12 154.58 0.05 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.29 -1.124 . . . . 0.0 113.879 165.306 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.978 HG23 ' HB2' ' B' ' 62' ' ' GLU . 23.1 mt -94.95 145.04 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 C-N-CA 124.464 1.106 . . . . 0.0 110.234 -161.22 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -116.52 -174.57 2.59 Favored 'General case' 0 N--CA 1.498 1.932 0 C-N-CA 124.13 0.972 . . . . 0.0 112.829 173.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -62.62 -35.15 78.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.86 -1.15 . . . . 0.0 111.925 -169.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -83.98 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.187 0 CA-C-O 125.031 2.348 . . . . 0.0 111.363 168.724 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.978 ' HB2' HG23 ' B' ' 58' ' ' ILE . 4.5 mm-40 -25.74 -35.63 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.727 0 CA-C-N 113.847 -1.524 . . . . 0.0 113.865 166.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.593 ' CD2' ' CD1' ' A' ' 11' ' ' PHE . 1.9 t80 -62.72 -55.23 28.55 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.032 -1.042 . . . . 0.0 112.015 173.569 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 34.7 mt -56.5 -38.27 71.55 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 123.906 0.882 . . . . 0.0 111.824 179.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.48 -24.06 34.4 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.079 -1.013 . . . . 0.0 109.369 -176.693 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 39.8 ttp -71.13 -43.84 66.8 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 177.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.506 ' HE1' HD13 ' A' ' 7' ' ' LEU . 7.0 ptt? -113.09 15.06 19.62 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.035 -1.041 . . . . 0.0 110.653 -176.799 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -119.67 -43.13 2.59 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 124.761 1.225 . . . . 0.0 113.924 157.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -87.16 89.14 1.61 Allowed Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.092 -1.005 . . . . 0.0 115.13 -169.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -116.91 -175.91 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.268 -1.136 . . . . 0.0 108.518 -172.188 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -52.22 108.97 0.33 Allowed 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.144 -0.972 . . . . 0.0 111.929 175.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.412 0 O-C-N 121.206 -0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.32 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -55.78 107.72 0.37 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.555 -0.716 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -103.94 112.69 25.78 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.2 -0.937 . . . . 0.0 112.55 -173.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.253 0.1 OUTLIER -87.06 25.13 1.38 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.335 -0.853 . . . . 0.0 112.062 178.286 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -62.59 -65.53 0.67 Allowed 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 -177.63 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.7 -51.39 68.99 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -54.08 49.41 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.26 -0.9 . . . . 0.0 111.747 -177.186 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' B' ' 60' ' ' PHE . . . -71.67 -39.32 70.36 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -175.861 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -42.7 -50.49 5.51 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.278 -0.889 . . . . 0.0 113.241 157.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.24 -28.82 61.41 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -178.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.449 ' HB2' ' CE2' ' B' ' 63' ' ' PHE . 80.7 t80 -76.46 -34.07 58.72 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.271 -0.893 . . . . 0.0 112.143 -178.265 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -70.62 -38.08 73.88 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.248 -0.908 . . . . 0.0 112.914 165.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.5 mm -72.07 -31.56 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -174.86 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.0 m-30 -65.77 -49.73 67.31 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.333 -0.854 . . . . 0.0 110.479 163.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -65.77 136.93 56.87 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.164 -0.96 . . . . 0.0 112.746 -162.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HD3' ' HG2' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -115.74 -36.32 4.24 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.108 -0.995 . . . . 0.0 109.228 -162.696 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -95.73 -29.28 14.36 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.09 52.24 0.2 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 168.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.63 -2.48 41.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.295 -0.878 . . . . 0.0 112.703 156.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.64 -18.69 46.81 Favored Glycine 0 CA--C 1.571 3.568 0 O-C-N 121.196 -0.94 . . . . 0.0 115.352 -172.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.1 m-30 -113.28 157.37 21.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.259 . . . . 0.0 111.815 -166.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 mt -103.72 132.49 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.122 -0.986 . . . . 0.0 110.259 169.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -108.82 169.36 8.72 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.121 -0.987 . . . . 0.0 112.711 -173.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -28.73 40.68 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.397 -0.814 . . . . 0.0 110.151 177.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -36.63 64.01 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.544 ' HG2' ' HD3' ' A' ' 16' ' ' LYS . 59.1 mt-10 -71.12 -29.34 65.13 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 173.475 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 ' CD1' HD11 ' A' ' 31' ' ' LEU . 2.9 tm? -69.54 -63.15 1.13 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.186 -0.946 . . . . 0.0 111.832 -166.381 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -25.89 -84.45 0.01 OUTLIER Glycine 0 CA--C 1.572 3.619 0 O-C-N 121.201 -0.937 . . . . 0.0 115.223 160.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.518 ' OE2' ' HE3' ' A' ' 16' ' ' LYS . 5.5 pt-20 -60.28 -20.71 60.18 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.165 -1.197 . . . . 0.0 113.912 -167.555 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.5 mt -58.72 -62.02 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.203 -0.936 . . . . 0.0 110.209 163.636 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD11 ' CD1' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -54.82 -66.41 0.41 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.973 -1.08 . . . . 0.0 111.179 170.241 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.784 ' HG2' ' CG2' ' B' ' 38' ' ' VAL . 0.1 OUTLIER -53.61 -50.98 64.5 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.227 -0.92 . . . . 0.0 110.881 -166.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.94 -11.9 9.5 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -158.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.3 p -129.53 109.9 11.41 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.321 -0.862 . . . . 0.0 109.859 161.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -163.1 -80.2 0.04 OUTLIER Glycine 0 CA--C 1.572 3.647 0 O-C-N 121.137 -0.977 . . . . 0.0 115.132 -173.622 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.406 0 O-C-N 121.257 -1.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.784 ' CG2' ' HG2' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -153.45 146.28 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 . . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.08 154.5 50.31 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.202 -0.936 . . . . 0.0 109.718 -169.23 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -61.03 -27.07 68.06 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -158.407 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.04 -39.78 78.97 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -71.7 -33.35 68.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.197 -0.94 . . . . 0.0 112.678 178.389 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.4 mp -60.11 -49.34 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.127 -0.983 . . . . 0.0 110.165 164.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -36.45 81.7 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 -178.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -64.06 -41.28 97.41 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.331 -0.855 . . . . 0.0 112.668 171.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 35.8 tp -56.01 -55.45 32.69 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 170.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 8.7 tpt -82.32 -6.82 59.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 120.602 -1.311 . . . . 0.0 112.112 -167.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 mttp -87.53 -43.29 12.13 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.896 . . . . 0.0 109.815 165.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -67.5 -26.8 66.53 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.566 -0.709 . . . . 0.0 112.427 -177.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 3.4 t -86.06 -40.49 15.7 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.273 -0.892 . . . . 0.0 112.825 173.345 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -77.33 67.95 3.36 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.329 -0.857 . . . . 0.0 112.672 -169.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -69.44 -34.94 75.16 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.22 -0.925 . . . . 0.0 109.974 -165.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -65.1 -21.98 66.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.309 -0.869 . . . . 0.0 113.264 -176.363 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 54.58 81.32 0.11 Allowed 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.219 -0.926 . . . . 0.0 113.255 -176.499 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.71 -20.28 2.03 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.565 1.146 . . . . 0.0 112.74 165.931 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.11 59.08 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.011 -1.056 . . . . 0.0 115.09 169.016 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -162.31 151.25 15.25 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.199 -1.177 . . . . 0.0 113.959 171.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.979 HG23 ' HB2' ' B' ' 62' ' ' GLU . 70.8 mt -110.36 135.44 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.208 -0.932 . . . . 0.0 110.317 -162.66 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -120.5 173.07 7.39 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 124.296 1.038 . . . . 0.0 112.818 169.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.501 ' HE2' ' HB2' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -56.32 -34.32 66.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.825 -1.172 . . . . 0.0 112.067 -156.15 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.66 -78.13 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.656 0 O-C-N 120.372 -1.455 . . . . 0.0 113.411 161.193 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.979 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.0 mt-10 -40.98 -31.01 0.15 Allowed 'General case' 0 CA--C 1.573 1.838 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 172.291 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 3.9 t80 -58.54 -53.32 59.71 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 119.89 -1.757 . . . . 0.0 112.045 170.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.4 mt -54.98 -26.04 33.95 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.19 0.996 . . . . 0.0 111.724 -177.274 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 -43.37 10.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.244 -0.91 . . . . 0.0 109.464 174.754 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.01 -57.04 3.57 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 171.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' B' ' 68' ' ' GLU . 6.0 ttm -64.15 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 124.082 0.953 . . . . 0.0 110.599 166.452 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' N ' ' HG2' ' B' ' 67' ' ' MET . 5.9 mt-10 -77.29 6.73 6.21 Favored 'General case' 0 CA--C 1.574 1.873 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -163.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 10.66 110.9 0.0 OUTLIER Glycine 0 CA--C 1.57 3.522 0 N-CA-C 116.691 1.437 . . . . 0.0 116.691 155.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 p -123.19 30.46 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.172 -1.193 . . . . 0.0 108.464 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -66.43 -80.83 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.241 -0.912 . . . . 0.0 111.972 -174.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.416 0 O-C-N 121.112 -0.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.7 ttpp -170.65 118.74 0.53 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.564 -0.71 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.64 129.49 34.72 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.271 -0.893 . . . . 0.0 112.418 -164.668 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.0 pt-20 -130.08 -35.45 1.6 Allowed 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.247 -0.908 . . . . 0.0 111.875 -169.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.686 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -64.71 -23.7 67.33 Favored 'General case' 0 CA--C 1.57 1.75 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -69.31 -62.56 1.33 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 171.017 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.912 HD22 HD23 ' B' ' 64' ' ' LEU . 5.8 mp -55.52 -21.37 16.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.086 -1.009 . . . . 0.0 111.707 167.359 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -59.05 -68.49 0.27 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.126 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -50.62 -44.04 57.1 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.246 -0.909 . . . . 0.0 113.307 169.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -60.89 -43.07 98.99 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.588 ' HD1' ' CD1' ' B' ' 63' ' ' PHE . 84.9 t80 -69.01 -27.65 65.87 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.348 -0.845 . . . . 0.0 111.93 177.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -68.34 -36.67 79.6 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.914 0.886 . . . . 0.0 113.058 163.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.8 mm -70.86 -38.8 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 C-N-CA 124.3 1.04 . . . . 0.0 110.288 -176.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.695 ' CE2' HG21 ' A' ' 30' ' ' ILE . 11.1 m-85 -58.48 -52.09 67.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.307 -0.871 . . . . 0.0 110.378 175.186 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -78.72 146.38 33.95 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.222 -0.924 . . . . 0.0 112.822 -170.654 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HG2' ' OE2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -64.6 -37.32 87.17 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.11 -0.994 . . . . 0.0 109.178 -170.509 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 4.1 m-80 -140.47 -33.04 0.57 Allowed 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -158.874 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.73 48.25 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 156.195 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -68.4 -23.08 64.6 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.258 -0.901 . . . . 0.0 112.681 156.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.549 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 130.37 20.39 1.27 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.258 -0.901 . . . . 0.0 115.301 155.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.577 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -124.05 168.8 12.37 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.301 -1.117 . . . . 0.0 111.591 177.072 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 mt -110.81 162.64 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.043 -1.036 . . . . 0.0 110.243 165.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -120.53 158.36 27.47 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.13 -0.981 . . . . 0.0 112.623 164.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.861 HD12 HD13 ' A' ' 27' ' ' LEU . 1.8 tp -59.61 -31.38 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.418 -0.802 . . . . 0.0 110.186 174.141 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -66.11 -28.32 68.72 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 177.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.597 ' OE2' ' HG2' ' A' ' 16' ' ' LYS . 89.0 mt-10 -75.78 -24.61 56.01 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 166.025 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.861 HD13 HD12 ' A' ' 24' ' ' ILE . 8.9 tt -69.42 -52.75 23.89 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.225 -0.922 . . . . 0.0 111.833 -159.214 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.39 -30.83 78.75 Favored Glycine 0 CA--C 1.571 3.559 0 O-C-N 121.171 -0.955 . . . . 0.0 115.163 176.015 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 1.2 tt0 -75.38 -35.63 61.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.225 -1.161 . . . . 0.0 113.86 176.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.695 HG21 ' CE2' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -55.96 -65.89 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.292 -0.88 . . . . 0.0 110.208 163.84 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.38 -24.32 67.2 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.128 -0.982 . . . . 0.0 111.709 -164.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 -16.31 12.91 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.115 -0.991 . . . . 0.0 110.873 -168.613 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -43.02 124.92 3.37 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 173.794 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.92 -158.92 0.61 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.235 -0.916 . . . . 0.0 109.721 -169.19 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.53 -27.52 0.02 OUTLIER Glycine 0 CA--C 1.572 3.621 0 O-C-N 121.187 -0.946 . . . . 0.0 115.086 156.676 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.397 0 O-C-N 121.285 -1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.8 95.87 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.459 HG22 ' H ' ' B' ' 40' ' ' GLU . 0.6 OUTLIER -86.42 -177.9 6.31 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.212 -0.93 . . . . 0.0 109.763 -172.485 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.459 ' H ' HG22 ' B' ' 39' ' ' THR . 64.5 mt-10 -74.66 -36.36 62.83 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 176.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -62.2 -41.53 98.45 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 173.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.13 -35.62 80.12 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.233 -0.917 . . . . 0.0 112.64 175.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 10.8 mt -70.25 -35.32 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.217 -0.927 . . . . 0.0 110.227 169.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.81 -34.16 71.45 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.58 -42.33 91.85 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.282 -0.886 . . . . 0.0 112.662 166.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.2 tp -51.55 -46.77 63.49 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 168.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.9 tpt -70.25 -42.9 71.59 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.088 -1.008 . . . . 0.0 112.095 -176.255 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -85.82 -18.39 33.02 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.29 -0.881 . . . . 0.0 110.336 -172.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -67.02 -58.36 5.09 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.499 -1.376 . . . . 0.0 112.466 157.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 9.0 m -55.66 -32.6 63.35 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.143 -0.973 . . . . 0.0 112.709 -174.162 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -76.97 104.6 7.55 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.253 -0.904 . . . . 0.0 112.675 -168.234 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -55.2 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.225 -0.922 . . . . 0.0 109.917 -177.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -65.7 -2.57 3.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.267 -0.896 . . . . 0.0 113.41 -167.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 58.79 84.3 0.11 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.103 -0.998 . . . . 0.0 113.251 170.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.5 -17.39 1.0 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.242 -0.911 . . . . 0.0 112.746 172.435 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.74 8.82 56.9 Favored Glycine 0 CA--C 1.571 3.592 0 O-C-N 120.858 -1.151 . . . . 0.0 115.115 165.254 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.5 ptp85 -147.43 151.74 36.96 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.224 -1.162 . . . . 0.0 113.838 167.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.788 HG23 ' HB2' ' B' ' 62' ' ' GLU . 65.4 mt -105.86 151.97 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.133 -0.979 . . . . 0.0 110.202 -156.735 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -118.23 -167.46 1.36 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.088 -1.008 . . . . 0.0 112.717 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.33 -39.0 93.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.034 -1.041 . . . . 0.0 112.091 -176.156 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.55 -84.72 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.186 0 CA-C-O 124.827 2.251 . . . . 0.0 111.324 171.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.788 ' HB2' HG23 ' B' ' 58' ' ' ILE . 30.9 mt-10 -27.21 -35.28 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 CA-C-N 113.905 -1.498 . . . . 0.0 113.868 167.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.588 ' CD1' ' HD1' ' A' ' 11' ' ' PHE . 59.8 t80 -61.17 -55.95 26.36 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 120.977 -1.077 . . . . 0.0 111.846 174.455 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.912 HD23 HD22 ' A' ' 7' ' ' LEU . 19.6 mt -51.01 -42.17 60.25 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 124.689 1.196 . . . . 0.0 111.888 175.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -98.92 -9.56 23.97 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.995 -1.066 . . . . 0.0 109.646 -164.118 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.3 tmm? -90.42 -40.17 12.2 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 166.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.95 -53.88 14.56 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.198 -0.938 . . . . 0.0 110.615 162.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.01 -46.46 61.55 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 162.348 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.93 -110.85 0.45 Allowed Glycine 0 CA--C 1.572 3.601 0 O-C-N 121.227 -0.921 . . . . 0.0 115.167 165.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.4 t -98.52 150.59 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.307 -1.113 . . . . 0.0 108.51 -163.123 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -83.73 -35.4 24.46 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.18 -0.95 . . . . 0.0 111.932 -158.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.385 0 O-C-N 121.23 -0.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.91 86.99 0.11 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.508 -0.745 . . . . 0.0 110.031 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 t -83.54 146.24 28.45 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.255 -0.903 . . . . 0.0 112.391 -169.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -106.1 -21.18 13.19 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.208 -0.933 . . . . 0.0 111.859 -167.524 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.08 -23.48 62.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -177.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -102.68 -28.36 12.17 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -172.045 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.426 HD22 HD23 ' B' ' 64' ' ' LEU . 5.7 mp -74.47 -25.91 59.69 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.046 0.938 . . . . 0.0 111.753 161.352 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.458 ' HA ' ' HE1' ' B' ' 60' ' ' PHE . . . -68.2 -54.9 14.55 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 167.229 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -59.84 -31.7 69.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.253 -0.904 . . . . 0.0 113.182 170.221 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.09 86.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 166.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HD1' ' CG ' ' B' ' 63' ' ' PHE . 64.4 t80 -78.38 -30.11 47.71 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.37 -0.831 . . . . 0.0 112.214 -178.365 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -56.97 12.11 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 124.306 1.042 . . . . 0.0 112.922 163.603 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.1 mm -64.43 -28.39 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.2 -0.938 . . . . 0.0 110.269 -170.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -72.83 -38.16 67.22 Favored 'General case' 0 N--CA 1.496 1.826 0 C-N-CA 123.917 0.887 . . . . 0.0 110.414 174.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.6 122.59 20.79 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.263 -0.898 . . . . 0.0 112.798 179.707 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HD3' ' HB3' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -91.07 13.57 16.47 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.016 -1.052 . . . . 0.0 109.879 -162.754 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 1.9 p30 -170.46 -25.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.989 0 O-C-N 120.383 -1.448 . . . . 0.0 114.651 -154.445 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.57 55.31 2.8 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.819 1.415 . . . . 0.0 114.819 161.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -91.69 -20.1 21.94 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.226 -0.922 . . . . 0.0 112.746 154.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.41 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 126.05 2.51 7.15 Favored Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.111 -0.993 . . . . 0.0 115.151 171.47 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' HD1' ' C ' ' A' ' 20' ' ' GLY . 5.5 m-30 -120.08 170.43 9.3 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.215 -1.168 . . . . 0.0 111.662 -175.348 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.812 HG23 ' CG ' ' A' ' 26' ' ' GLU . 62.9 mt -127.49 121.14 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 C-N-CA 124.195 0.998 . . . . 0.0 110.199 175.548 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' B' ' 57' ' ' ARG . 25.4 p30 -98.99 161.75 13.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.964 -1.085 . . . . 0.0 112.849 -174.153 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -9.06 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.291 -0.881 . . . . 0.0 110.527 175.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -80.79 -40.15 25.54 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.469 -1.394 . . . . 0.0 113.746 170.714 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.812 ' CG ' HG23 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -64.82 -50.82 65.21 Favored 'General case' 0 CA--C 1.574 1.903 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 176.311 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.755 HD11 HG12 ' B' ' 43' ' ' ILE . 2.1 tm? -44.21 -73.22 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 125.337 1.455 . . . . 0.0 111.966 -171.024 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.547 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -48.72 -42.51 28.45 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.174 -0.954 . . . . 0.0 115.1 -177.323 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -68.74 -36.46 78.42 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.224 -1.162 . . . . 0.0 113.903 178.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.552 HG22 HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -58.46 -61.61 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.115 -0.99 . . . . 0.0 110.209 162.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD11 ' CD2' ' A' ' 27' ' ' LEU . 3.6 mt -79.62 25.16 0.34 Allowed 'General case' 0 CA--C 1.573 1.865 0 O-C-N 121.01 -1.056 . . . . 0.0 111.45 -178.173 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 tpt85 -155.76 -64.26 0.11 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.333 -0.855 . . . . 0.0 110.831 163.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.24 121.66 23.24 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -159.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.16 134.97 33.82 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.268 -0.895 . . . . 0.0 109.664 179.374 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.58 14.13 0.06 OUTLIER Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.221 -0.925 . . . . 0.0 115.053 -177.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.431 0 O-C-N 121.238 -1.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -89.16 146.17 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 63.8 p -105.78 166.27 10.59 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.228 -0.92 . . . . 0.0 109.789 157.084 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.91 -37.79 88.37 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -173.847 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -60.81 -33.11 72.51 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -178.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.55 -47.21 86.45 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.226 -0.921 . . . . 0.0 112.705 168.015 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.755 HG12 HD11 ' A' ' 27' ' ' LEU . 8.7 mt -63.73 -51.72 66.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.234 -0.916 . . . . 0.0 110.272 -174.457 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.57 -33.98 77.19 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.573 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -60.45 -46.67 89.22 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.264 -0.898 . . . . 0.0 112.622 165.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 tp -72.81 -44.74 61.11 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -175.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 6.6 ttt -87.8 11.11 16.32 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.054 -1.029 . . . . 0.0 112.083 176.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.7 -34.96 11.17 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 123.902 0.881 . . . . 0.0 109.869 156.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -67.49 -58.99 3.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.492 -0.755 . . . . 0.0 112.468 175.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.75 -16.18 58.59 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.187 -0.946 . . . . 0.0 112.907 -176.423 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -65.09 134.59 54.13 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.176 -0.952 . . . . 0.0 112.68 165.758 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 -99.09 0.25 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.263 -0.898 . . . . 0.0 110.015 -176.738 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -80.17 12.42 2.87 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -170.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 m120 59.17 48.37 10.55 Favored 'General case' 0 N--CA 1.498 1.938 0 C-N-CA 123.98 0.912 . . . . 0.0 113.293 -164.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -106.13 54.67 0.68 Allowed 'General case' 0 CA--C 1.573 1.853 0 C-N-CA 124.798 1.239 . . . . 0.0 112.435 153.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -73.74 27.1 0.92 Allowed Glycine 0 CA--C 1.57 3.497 0 N-CA-C 115.796 1.078 . . . . 0.0 115.796 -159.845 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.444 ' HD2' ' HB3' ' A' ' 23' ' ' ASP . 0.6 OUTLIER -88.04 122.97 32.26 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.904 -1.351 . . . . 0.0 113.808 161.786 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.882 HG23 ' HB2' ' B' ' 62' ' ' GLU . 40.3 mt -101.95 149.13 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.032 -1.042 . . . . 0.0 110.122 -156.873 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -119.27 -174.72 2.78 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.07 -1.019 . . . . 0.0 112.829 171.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.458 ' HE1' ' HA ' ' A' ' 8' ' ' ALA . 42.0 t80 -62.3 -32.15 72.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.947 -1.095 . . . . 0.0 112.014 -166.102 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.72 -83.97 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.151 0 CA-C-O 124.652 2.168 . . . . 0.0 111.516 172.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.882 ' HB2' HG23 ' B' ' 58' ' ' ILE . 35.3 mt-10 -24.44 -41.71 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.734 0 CA-C-N 113.825 -1.534 . . . . 0.0 113.614 166.418 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.625 ' CG ' ' HD1' ' A' ' 11' ' ' PHE . 58.2 t80 -60.41 -48.86 79.92 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.437 -0.79 . . . . 0.0 111.719 179.133 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 7' ' ' LEU . 27.6 mt -60.35 -29.87 69.18 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 124.823 1.249 . . . . 0.0 111.86 173.527 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -45.37 9.72 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.911 -1.118 . . . . 0.0 109.545 -163.614 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.822 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.72 2.81 31.93 Favored 'General case' 0 CA--C 1.571 1.758 0 N-CA-C 115.552 1.686 . . . . 0.0 115.552 167.57 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.82 -73.49 0.24 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.029 -1.045 . . . . 0.0 110.514 156.221 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -138.47 34.22 2.27 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -167.347 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.42 -51.77 11.99 Favored Glycine 0 CA--C 1.572 3.6 0 O-C-N 121.201 -0.937 . . . . 0.0 115.166 155.55 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.54 148.09 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.283 -1.127 . . . . 0.0 108.462 -175.378 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -110.21 141.08 43.64 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.245 -0.909 . . . . 0.0 112.097 167.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.404 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.308 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -64.47 142.48 58.41 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.515 -0.741 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -93.36 103.1 15.35 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.227 -0.92 . . . . 0.0 112.451 177.396 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -94.5 -65.05 1.01 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.226 -0.921 . . . . 0.0 111.825 173.579 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.598 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 8.3 tt0 -49.57 -26.88 3.88 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -164.128 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.88 -54.59 5.67 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -178.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.905 HD12 HD23 ' B' ' 64' ' ' LEU . 1.2 mt -58.23 -15.51 10.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.208 -0.933 . . . . 0.0 111.768 164.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -70.86 -65.32 0.75 Allowed 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 166.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -40.66 -51.92 2.97 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.247 -0.908 . . . . 0.0 113.232 163.248 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.43 84.09 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 -176.405 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.499 ' HD1' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -68.8 -42.56 77.15 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.214 -0.929 . . . . 0.0 112.066 179.086 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -53.03 -41.07 64.37 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.132 -0.98 . . . . 0.0 112.924 167.013 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -75.62 -33.33 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.504 1.122 . . . . 0.0 110.204 -171.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -56.58 -41.33 76.76 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.373 -0.829 . . . . 0.0 110.43 170.548 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -73.86 168.57 19.18 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.179 -0.95 . . . . 0.0 112.794 -159.064 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.695 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -101.08 -79.1 0.51 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.16 -0.962 . . . . 0.0 109.306 161.598 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.695 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 19.9 t30 -86.8 -36.38 18.57 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -162.627 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 81.75 58.58 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 155.604 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.4 17.14 4.67 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.26 -0.9 . . . . 0.0 112.68 160.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.15 -1.67 54.64 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.097 -1.002 . . . . 0.0 115.439 173.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -114.24 163.97 14.53 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.235 -1.156 . . . . 0.0 111.801 -168.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.462 HD12 ' HD2' ' B' ' 63' ' ' PHE . 23.8 mt -122.47 138.88 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 C-N-CA 124.273 1.029 . . . . 0.0 110.215 164.47 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -118.12 168.28 10.71 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.967 -1.083 . . . . 0.0 112.753 -166.898 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' SD ' ' B' ' 47' ' ' MET . 2.3 tp -60.57 -37.16 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.112 -0.993 . . . . 0.0 110.217 -173.365 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.18 -21.27 56.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.56 -23.06 53.56 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 164.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HG ' HD11 ' A' ' 31' ' ' LEU . 1.3 tt -74.58 -72.91 0.26 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.202 -0.937 . . . . 0.0 111.843 -161.276 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.71 60.14 Favored Glycine 0 CA--C 1.572 3.594 0 O-C-N 121.171 -0.955 . . . . 0.0 115.122 178.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -52.3 -59.74 4.04 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.21 -1.171 . . . . 0.0 113.895 162.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -48.14 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.103 -0.998 . . . . 0.0 110.168 171.372 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.605 HD11 ' HG ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -73.16 13.14 0.45 Allowed 'General case' 0 CA--C 1.574 1.87 0 O-C-N 121.199 -0.938 . . . . 0.0 111.467 -167.266 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -108.84 -43.52 4.22 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.308 -0.87 . . . . 0.0 110.851 162.062 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.44 162.34 13.09 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -172.15 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 p -79.97 161.12 25.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.168 -0.957 . . . . 0.0 109.706 -159.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.75 162.65 28.3 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.25 -0.906 . . . . 0.0 115.096 -163.542 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.262 -1.14 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 m -140.89 69.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.24 173.37 12.66 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.213 -0.929 . . . . 0.0 109.728 -179.71 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.19 -17.88 54.04 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 173.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -20.45 66.05 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 164.164 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -80.06 -37.74 33.29 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.231 -0.918 . . . . 0.0 112.663 169.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.2 mm -55.54 -38.22 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.146 -0.971 . . . . 0.0 110.12 163.385 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.63 -35.09 78.27 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 172.01 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -62.07 -42.29 99.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 171.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.471 HD22 ' O ' ' B' ' 46' ' ' LEU . 0.7 OUTLIER -61.39 -53.83 51.49 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 173.956 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.597 ' SD ' HD12 ' A' ' 24' ' ' ILE . 2.8 tpt -76.7 -28.81 56.01 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.755 -1.215 . . . . 0.0 111.993 -166.048 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.37 -20.58 17.72 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.264 -0.897 . . . . 0.0 110.292 -176.205 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.05 -50.38 62.1 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.602 -1.311 . . . . 0.0 112.445 157.763 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -75.32 -32.32 60.9 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.187 -0.946 . . . . 0.0 112.873 -170.635 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -75.65 98.71 4.12 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.206 -0.933 . . . . 0.0 112.681 -173.032 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.92 -75.38 0.11 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.228 -0.92 . . . . 0.0 110.067 -174.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.53 -12.86 59.65 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.14 -0.975 . . . . 0.0 113.333 -164.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 13.1 m120 62.59 66.61 0.76 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.097 -1.002 . . . . 0.0 113.272 163.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -51.81 2.84 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 125.036 1.334 . . . . 0.0 112.625 159.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 176.9 -26.92 0.06 OUTLIER Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.246 -0.909 . . . . 0.0 115.042 174.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -115.77 171.05 8.0 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.263 -1.14 . . . . 0.0 113.907 -157.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.968 HG23 ' HB2' ' B' ' 62' ' ' GLU . 39.0 mt -103.34 151.9 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 124.338 1.055 . . . . 0.0 110.206 166.72 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 p30 -125.2 -153.48 0.57 Allowed 'General case' 0 N--CA 1.496 1.858 0 C-N-CA 124.314 1.045 . . . . 0.0 112.731 160.04 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.472 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -79.67 -40.51 28.93 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.857 -1.152 . . . . 0.0 112.156 -162.68 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.04 -75.27 0.03 OUTLIER 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.822 -1.174 . . . . 0.0 113.853 164.178 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.968 ' HB2' HG23 ' B' ' 58' ' ' ILE . 3.2 mt-10 -33.18 -49.99 0.28 Allowed 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 165.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.462 ' HD2' HD12 ' A' ' 22' ' ' ILE . 9.4 t80 -53.25 -35.72 60.31 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.22 -0.925 . . . . 0.0 111.863 -177.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.905 HD23 HD12 ' A' ' 7' ' ' LEU . 23.2 mt -71.12 -33.09 69.8 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 124.022 0.929 . . . . 0.0 111.781 -179.407 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.13 -38.15 21.08 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.256 -0.903 . . . . 0.0 109.358 179.304 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 5.9 ttp -55.95 -59.6 4.66 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -46.58 -65.36 0.57 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.248 -0.908 . . . . 0.0 110.521 168.275 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -77.44 -57.03 4.05 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -159.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.84 57.6 1.7 Allowed Glycine 0 CA--C 1.572 3.611 0 O-C-N 121.141 -0.974 . . . . 0.0 115.107 -163.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.521 HG22 ' HG2' ' B' ' 71' ' ' GLN . 9.8 p -62.92 173.2 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.344 -1.092 . . . . 0.0 108.545 -167.42 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.521 ' HG2' HG22 ' B' ' 70' ' ' VAL . 10.8 pt20 -41.0 138.57 1.04 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.172 -0.955 . . . . 0.0 112.001 173.064 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.413 0 O-C-N 121.239 -0.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 tptt 90.5 152.34 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.555 -0.715 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 4.8 m -85.4 91.89 8.33 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.282 -0.886 . . . . 0.0 112.446 -154.763 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.257 0.9 OUTLIER -158.64 -35.81 0.06 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.163 -0.961 . . . . 0.0 111.893 -166.608 . . . . . . . . 4 4 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.786 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -61.66 -54.64 40.12 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -159.307 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -63.08 -57.33 10.98 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 179.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.82 -22.93 27.36 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.268 -0.895 . . . . 0.0 111.731 169.902 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.786 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -62.42 -66.56 0.52 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 169.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -35.03 -58.91 0.52 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 123.942 0.897 . . . . 0.0 113.254 160.221 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.78 -35.34 80.28 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 -174.473 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.679 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 66.8 t80 -76.99 -32.23 57.08 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.27 -0.893 . . . . 0.0 112.247 -178.644 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.486 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -61.51 -56.32 21.37 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.152 -0.968 . . . . 0.0 112.902 160.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 25.5 mm -65.15 -33.55 64.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 C-N-CA 124.053 0.941 . . . . 0.0 110.266 -166.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -54.96 -67.58 0.26 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.23 -0.919 . . . . 0.0 110.39 165.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -55.5 128.72 35.8 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 124.141 0.976 . . . . 0.0 112.854 -164.371 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -65.82 -68.63 0.35 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 175.502 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 34.5 t-20 -85.1 -30.6 23.91 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 114.549 1.315 . . . . 0.0 114.549 -161.687 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.22 48.2 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 159.624 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -76.69 -11.68 59.88 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.266 -0.896 . . . . 0.0 112.696 159.218 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.53 9.02 55.63 Favored Glycine 0 CA--C 1.571 3.572 0 O-C-N 121.052 -1.03 . . . . 0.0 115.227 -172.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -117.04 159.08 23.08 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.236 -1.155 . . . . 0.0 111.693 176.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.5 mt -117.63 151.28 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 C-N-CA 124.195 0.998 . . . . 0.0 110.213 172.094 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -127.45 173.2 10.02 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.06 -1.025 . . . . 0.0 112.74 -162.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -39.48 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.263 -0.898 . . . . 0.0 110.248 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -74.58 -25.37 59.23 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.777 1.028 . . . . 0.0 113.777 -177.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -77.08 -29.56 55.03 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 169.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.491 ' C ' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -69.98 -67.3 0.5 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.194 -0.941 . . . . 0.0 111.879 -172.514 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -44.6 -38.0 5.26 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.185 -0.947 . . . . 0.0 115.159 178.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -80.15 -35.35 36.73 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.24 -1.153 . . . . 0.0 113.86 -177.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -56.14 -57.94 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.28 -0.888 . . . . 0.0 110.228 166.377 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.536 HD21 HG13 ' B' ' 43' ' ' ILE . 4.6 pp -64.29 -16.19 61.67 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.052 -1.03 . . . . 0.0 111.732 178.819 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -97.39 -20.77 17.59 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.166 -0.959 . . . . 0.0 111.007 174.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.84 -27.52 0.12 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -172.682 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.9 p -55.47 -34.76 64.83 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.224 -0.922 . . . . 0.0 109.781 -159.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.37 -86.75 0.06 OUTLIER Glycine 0 CA--C 1.572 3.599 0 O-C-N 121.154 -0.966 . . . . 0.0 115.107 -159.484 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.21 -1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 p 42.37 83.56 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.23 170.13 20.78 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.167 -0.958 . . . . 0.0 109.784 -176.546 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -71.39 -36.85 71.53 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -64.46 -29.53 70.57 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 174.136 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.86 -38.58 88.8 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.212 -0.93 . . . . 0.0 112.636 168.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.536 HG13 HD21 ' A' ' 31' ' ' LEU . 1.6 mp -66.2 -42.64 91.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.218 -0.926 . . . . 0.0 110.281 172.606 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -42.49 77.87 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -178.343 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -74.17 -34.29 63.76 Favored 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.04 0.936 . . . . 0.0 112.698 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.8 tp -57.42 -45.63 84.42 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 160.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 3.5 ttt -80.37 7.84 8.82 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.155 -0.966 . . . . 0.0 112.139 -175.301 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -34.45 5.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.318 -0.864 . . . . 0.0 109.961 161.597 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -67.37 -34.19 76.77 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.422 -0.799 . . . . 0.0 112.454 173.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 31.4 t -86.97 -40.22 14.98 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.247 -0.908 . . . . 0.0 112.897 170.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -74.45 119.11 18.2 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.247 -0.908 . . . . 0.0 112.641 179.004 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.25 -62.51 1.36 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.082 -1.012 . . . . 0.0 110.061 -179.312 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.83 -30.06 70.58 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.324 -0.86 . . . . 0.0 113.258 -179.099 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 56.22 43.76 26.07 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.17 -0.956 . . . . 0.0 113.242 167.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.66 -32.56 36.03 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.166 -0.959 . . . . 0.0 112.722 158.901 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.09 -11.54 0.19 Allowed Glycine 0 CA--C 1.571 3.586 0 O-C-N 121.107 -0.996 . . . . 0.0 115.234 161.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 -151.32 162.73 40.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.244 -1.151 . . . . 0.0 113.853 -156.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.952 HG23 ' HB2' ' B' ' 62' ' ' GLU . 77.5 mt -109.58 150.21 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.209 -0.932 . . . . 0.0 110.225 -159.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -122.3 -165.88 1.34 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.063 -1.023 . . . . 0.0 112.739 166.792 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -70.27 -42.26 72.34 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 112.048 -164.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -78.98 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.64 0 O-C-N 120.719 -1.238 . . . . 0.0 113.613 163.769 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.952 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.0 OUTLIER -34.42 -35.69 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 172.065 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.679 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 8.3 t80 -59.4 -49.18 78.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.559 -1.338 . . . . 0.0 111.927 174.813 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.28 -28.5 69.37 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.283 -0.886 . . . . 0.0 111.744 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.4 -53.5 16.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.035 -1.041 . . . . 0.0 109.332 167.77 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.488 ' HE3' ' HD1' ' B' ' 63' ' ' PHE . 6.1 tmm? -61.1 -34.12 74.44 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -172.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -73.3 0.12 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.301 -0.874 . . . . 0.0 110.57 161.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -49.02 -33.06 10.42 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -161.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.6 161.2 6.82 Favored Glycine 0 CA--C 1.571 3.582 0 O-C-N 121.228 -0.92 . . . . 0.0 115.076 155.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -69.76 155.53 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.2 -1.176 . . . . 0.0 108.505 -171.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -60.38 -33.54 72.6 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.265 -0.897 . . . . 0.0 112.013 -168.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.402 0 O-C-N 121.221 -0.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -142.7 94.14 2.6 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.466 -0.771 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -150.34 63.22 0.96 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.287 -0.883 . . . . 0.0 112.42 -162.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.948 ' HG3' ' CD2' ' B' ' 64' ' ' LEU 0.26 0.0 OUTLIER -87.21 45.87 1.32 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.26 -0.9 . . . . 0.0 111.746 161.535 . . . . . . . . 4 4 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -73.64 -59.54 2.67 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -171.376 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -62.04 -18.01 59.22 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.563 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.67 -28.25 30.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.209 -0.932 . . . . 0.0 111.703 168.221 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -65.02 -66.96 0.48 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 169.039 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -33.06 -55.03 0.39 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 123.919 0.887 . . . . 0.0 113.232 161.347 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.21 -31.49 65.91 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -173.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -76.24 -30.26 57.82 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.272 -0.892 . . . . 0.0 112.141 177.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -26.25 57.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.252 -0.905 . . . . 0.0 112.969 167.124 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -74.08 -34.5 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 C-N-CA 124.432 1.093 . . . . 0.0 110.213 176.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.5 m-30 -71.22 -33.63 70.06 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 123.997 0.919 . . . . 0.0 110.412 177.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.17 106.46 11.23 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.95 . . . . 0.0 112.867 -161.69 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -83.25 -51.2 7.67 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.134 -0.978 . . . . 0.0 109.413 -162.029 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 16.7 m120 -101.27 -30.01 11.75 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -176.222 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 84.12 43.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 154.128 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.64 -17.29 62.76 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.94 -1.1 . . . . 0.0 112.364 153.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.62 -41.63 1.5 Allowed Glycine 0 CA--C 1.573 3.686 0 O-C-N 121.454 -0.779 . . . . 0.0 115.001 178.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -128.56 163.4 25.09 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.461 -1.023 . . . . 0.0 111.74 -162.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -99.5 154.26 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 124.135 0.974 . . . . 0.0 110.281 -162.247 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.64 173.66 10.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.139 -0.976 . . . . 0.0 112.736 179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.48 -28.43 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.253 -0.904 . . . . 0.0 110.272 -177.078 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -66.28 -37.31 85.15 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.104 -0.998 . . . . 0.0 113.692 170.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -74.88 -40.43 60.95 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 -179.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.879 HD12 HG23 ' B' ' 43' ' ' ILE . 2.9 tm? -45.43 -71.51 0.07 Allowed 'General case' 0 N--CA 1.496 1.871 0 C-N-CA 124.008 0.923 . . . . 0.0 111.961 -174.413 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.467 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -43.54 -53.38 6.04 Favored Glycine 0 CA--C 1.57 3.528 0 O-C-N 121.091 -1.006 . . . . 0.0 115.148 -174.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.6 pt-20 -62.94 -35.77 81.23 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.239 -1.154 . . . . 0.0 113.861 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.2 mm -53.16 -55.26 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.2 -0.938 . . . . 0.0 110.192 171.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mt -54.49 -49.34 70.37 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.028 -1.045 . . . . 0.0 111.34 173.297 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.9 mtp85 -117.96 34.7 5.04 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.465 -0.772 . . . . 0.0 110.829 -157.133 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -122.14 -178.44 3.87 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 165.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.0 m -133.24 87.46 2.4 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.254 -0.904 . . . . 0.0 109.812 175.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.92 -95.15 0.01 OUTLIER Glycine 0 CA--C 1.572 3.602 0 O-C-N 121.22 -0.925 . . . . 0.0 115.063 -159.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.421 0 O-C-N 121.216 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.336 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.0 t -126.23 150.33 31.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.2 p -134.43 -156.93 0.77 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.258 -0.902 . . . . 0.0 109.727 176.567 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -78.13 -38.45 43.78 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 173.231 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.72 -21.02 63.51 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -174.752 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -59.9 -56.2 24.74 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.306 -0.871 . . . . 0.0 112.689 161.319 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.879 HG23 HD12 ' A' ' 27' ' ' LEU . 1.2 mp -59.56 -42.33 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.105 -0.997 . . . . 0.0 110.243 177.18 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -34.95 75.02 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -64.32 -46.99 81.12 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.326 -0.859 . . . . 0.0 112.643 172.602 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.36 -46.57 69.74 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -176.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.7 -33.63 64.48 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.085 -1.009 . . . . 0.0 112.013 -179.548 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -84.29 -12.97 53.74 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.299 -0.876 . . . . 0.0 110.553 177.031 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.99 -58.32 5.16 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.242 -1.536 . . . . 0.0 112.442 158.057 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.29 1.86 7.03 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.096 -1.003 . . . . 0.0 113.251 177.556 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.63 122.25 19.42 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.005 -1.06 . . . . 0.0 112.633 178.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.03 -140.48 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.072 -1.018 . . . . 0.0 110.087 158.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -73.36 -57.26 4.14 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.25 -0.906 . . . . 0.0 113.223 168.864 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 m120 58.91 99.65 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.224 -0.922 . . . . 0.0 113.377 164.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -37.93 -46.6 0.99 Allowed 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.191 -0.943 . . . . 0.0 112.669 162.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.82 -39.36 0.04 OUTLIER Glycine 0 CA--C 1.572 3.609 0 O-C-N 121.23 -0.919 . . . . 0.0 115.129 -177.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -127.69 169.31 13.94 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.174 -1.192 . . . . 0.0 113.873 -155.536 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.945 HG23 ' HB2' ' B' ' 62' ' ' GLU . 78.5 mt -111.92 137.65 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 121.07 -1.019 . . . . 0.0 110.297 -177.141 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -124.23 173.5 8.3 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 120.653 -1.279 . . . . 0.0 112.756 166.391 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -50.92 -40.72 57.79 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.441 1.096 . . . . 0.0 112.257 -153.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.29 -77.93 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 O-C-N 120.692 -1.255 . . . . 0.0 113.737 167.274 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.945 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.1 OUTLIER -31.02 -42.79 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 169.165 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -57.92 -47.81 81.74 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.951 -1.093 . . . . 0.0 112.198 178.549 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.948 ' CD2' ' HG3' ' A' ' 4' ' ' GLU . 29.2 mt -62.28 -22.12 65.76 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.236 -0.915 . . . . 0.0 111.761 179.593 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -87.1 -51.53 5.95 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.159 -0.963 . . . . 0.0 109.352 173.365 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.7 ttm -50.19 -15.24 0.21 Allowed 'General case' 0 N--CA 1.497 1.918 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 176.494 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.5 mmt -88.59 -69.18 0.72 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.191 -0.943 . . . . 0.0 110.526 156.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -91.93 -44.06 9.11 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -155.581 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.54 -81.73 0.04 OUTLIER Glycine 0 CA--C 1.572 3.608 0 O-C-N 121.168 -0.957 . . . . 0.0 115.077 -163.275 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.6 t -102.45 134.75 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.255 -1.144 . . . . 0.0 108.525 -177.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -97.48 -120.16 0.13 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.209 -0.932 . . . . 0.0 111.916 -164.649 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.419 0 O-C-N 121.084 -1.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt 78.25 109.29 0.07 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.511 -0.743 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 p -118.56 154.5 32.49 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.311 -0.868 . . . . 0.0 112.414 166.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 1.6 mm-40 -97.28 18.86 14.15 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.17 -0.956 . . . . 0.0 111.843 173.353 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -76.63 -75.46 0.2 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -155.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -21.84 66.7 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 178.313 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.772 HD21 ' HE3' ' B' ' 67' ' ' MET . 62.0 mt -89.94 -14.92 33.11 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.355 1.062 . . . . 0.0 111.778 179.742 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.93 -52.85 8.19 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 161.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -45.85 -44.48 14.32 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.229 -0.919 . . . . 0.0 113.263 158.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.708 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -66.19 -42.58 88.66 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 176.713 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.625 ' HE2' ' HA ' ' B' ' 60' ' ' PHE . 0.2 OUTLIER -74.08 -36.96 64.33 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 123.881 0.872 . . . . 0.0 112.033 -176.353 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -35.72 81.9 Favored 'General case' 0 N--CA 1.496 1.867 0 C-N-CA 124.164 0.986 . . . . 0.0 112.944 169.612 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mm -76.53 -33.94 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.383 1.073 . . . . 0.0 110.25 -174.741 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -70.26 -29.13 65.83 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.314 -0.866 . . . . 0.0 110.417 169.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -68.46 156.85 37.1 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.208 -0.933 . . . . 0.0 112.724 -172.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.74 -46.71 0.49 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.045 -1.034 . . . . 0.0 109.266 178.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -85.2 -30.31 23.99 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -171.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.06 65.24 0.05 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 158.227 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.11 13.93 14.83 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.724 1.21 . . . . 0.0 112.655 156.61 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.97 32.29 82.14 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.259 -0.901 . . . . 0.0 115.112 -165.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 13.2 m-30 -123.76 159.64 29.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.194 -1.18 . . . . 0.0 111.691 174.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mm -106.04 150.8 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 120.948 -1.095 . . . . 0.0 110.273 165.476 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -123.1 158.27 31.04 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.205 -0.935 . . . . 0.0 112.679 177.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.0 tt -58.79 -28.49 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.33 -0.856 . . . . 0.0 110.196 -178.279 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -76.31 -29.22 57.25 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -178.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.692 ' O ' HD13 ' A' ' 30' ' ' ILE . 96.8 mt-10 -77.54 -32.05 53.72 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 167.201 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.973 HD12 HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -44.33 -72.71 0.05 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.296 -0.878 . . . . 0.0 111.915 -177.346 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -39.75 -65.35 0.9 Allowed Glycine 0 CA--C 1.571 3.571 0 O-C-N 121.178 -0.951 . . . . 0.0 115.105 163.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 96.1 mt-10 -61.28 -32.17 72.0 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.212 -1.17 . . . . 0.0 113.859 -166.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.692 HD13 ' O ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -59.94 -59.71 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.931 0 O-C-N 121.141 -0.974 . . . . 0.0 110.239 160.87 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.973 HD23 HD12 ' A' ' 27' ' ' LEU . 3.3 pp -80.88 19.51 0.85 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.012 -1.055 . . . . 0.0 111.757 -172.112 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -129.7 -24.65 2.69 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.065 -1.022 . . . . 0.0 110.867 168.173 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -67.01 176.07 2.26 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 -173.576 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.9 p -53.98 110.65 0.62 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.227 -0.92 . . . . 0.0 109.814 -163.537 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 54.27 -128.7 41.97 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.24 -0.913 . . . . 0.0 115.154 173.14 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.425 0 O-C-N 121.297 -1.119 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.349 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 55.25 82.18 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -139.76 174.82 10.13 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.17 -0.956 . . . . 0.0 109.727 169.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -20.63 63.03 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 177.036 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -61.43 -21.45 64.13 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 172.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.34 -29.89 15.4 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.21 -0.931 . . . . 0.0 112.682 177.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.3 -30.86 36.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.064 -1.022 . . . . 0.0 110.223 159.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.65 -32.81 58.22 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 173.977 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -63.29 -34.77 78.41 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.282 -0.886 . . . . 0.0 112.616 163.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 38.7 tp -76.31 -43.23 42.24 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -179.254 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tpt -94.49 18.27 11.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.157 -0.964 . . . . 0.0 112.147 175.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 -31.15 6.98 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.224 -0.923 . . . . 0.0 110.08 161.869 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -67.41 -65.09 0.73 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.949 -1.094 . . . . 0.0 112.457 161.143 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . 0.586 ' O ' ' HE2' ' B' ' 52' ' ' LYS . 4.7 m -77.01 -21.42 54.65 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.129 -0.982 . . . . 0.0 112.884 -164.601 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -56.52 173.17 0.19 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.144 -0.973 . . . . 0.0 112.731 165.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.586 ' HE2' ' O ' ' B' ' 50' ' ' SER . 0.0 OUTLIER -139.96 -109.71 0.15 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.932 -1.105 . . . . 0.0 110.081 170.441 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.12 22.4 0.65 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.692 -1.255 . . . . 0.0 113.828 -169.6 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 73.65 31.05 1.33 Allowed 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 125.184 1.394 . . . . 0.0 113.101 170.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -92.13 55.33 2.57 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 124.346 1.059 . . . . 0.0 112.282 153.365 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.62 10.94 0.64 Allowed Glycine 0 CA--C 1.571 3.584 0 N-CA-C 115.842 1.097 . . . . 0.0 115.842 -158.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -91.49 139.18 30.96 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.021 -1.282 . . . . 0.0 113.878 174.421 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.926 HG23 ' HB2' ' B' ' 62' ' ' GLU . 26.7 mt -111.26 159.44 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 C-N-CA 124.005 0.922 . . . . 0.0 110.63 -154.115 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.02 -174.17 3.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.095 -1.003 . . . . 0.0 112.815 174.487 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.625 ' HA ' ' HE2' ' A' ' 11' ' ' PHE . 1.9 t80 -65.46 -34.33 78.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 120.928 -1.108 . . . . 0.0 112.037 -169.026 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.98 -84.54 0.0 OUTLIER 'General case' 0 CA--C 1.581 2.156 0 CA-C-O 124.621 2.153 . . . . 0.0 111.282 168.869 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.926 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.7 mt-10 -28.53 -36.08 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 113.885 -1.507 . . . . 0.0 113.781 167.396 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.432 ' CD2' ' CD2' ' A' ' 11' ' ' PHE . 2.9 t80 -62.28 -52.61 63.03 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.065 -1.022 . . . . 0.0 112.092 176.874 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -52.11 -47.21 65.41 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 125.189 1.396 . . . . 0.0 111.879 174.261 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.03 -24.19 38.07 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.114 -0.991 . . . . 0.0 109.344 -174.393 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 31.6 ttp -67.96 -54.59 17.42 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 175.668 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.772 ' HE3' HD21 ' A' ' 7' ' ' LEU . 37.0 ttp -64.85 -41.76 95.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.219 -0.925 . . . . 0.0 110.595 176.41 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.72 -79.19 0.06 Allowed 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 176.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -57.21 99.43 0.1 OUTLIER Glycine 0 CA--C 1.571 3.577 0 O-C-N 121.168 -0.958 . . . . 0.0 115.097 -168.715 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.38 105.34 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.251 -1.146 . . . . 0.0 108.484 162.683 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -134.79 -29.27 1.16 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.232 -0.917 . . . . 0.0 111.967 165.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.398 0 O-C-N 121.27 -0.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.346 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 tttm 43.05 -148.15 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.475 -0.766 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -73.9 134.45 43.23 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.224 -0.923 . . . . 0.0 112.441 167.329 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER -162.51 -18.41 0.04 OUTLIER 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.05 -1.032 . . . . 0.0 112.169 -160.717 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.696 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 1.1 tt0 -30.25 -71.31 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 172.913 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.19 -38.86 75.43 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -164.739 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.776 HD13 ' CD2' ' B' ' 64' ' ' LEU . 33.6 mt -74.05 -18.39 60.84 Favored 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 124.546 1.139 . . . . 0.0 111.799 168.653 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -67.97 -60.32 2.59 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 165.505 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -41.98 -54.64 3.43 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.19 -0.944 . . . . 0.0 113.21 158.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.669 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -61.59 -39.11 90.01 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -179.435 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.686 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 51.1 t80 -74.9 -30.8 61.39 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.213 -0.929 . . . . 0.0 112.092 -179.902 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -65.01 -46.84 79.72 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.172 0.989 . . . . 0.0 112.897 164.6 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 mm -73.05 -29.65 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 C-N-CA 124.416 1.086 . . . . 0.0 110.215 -166.588 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HD2' ' HE1' ' B' ' 63' ' ' PHE . 13.8 m-30 -70.36 -37.38 74.58 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 124.062 0.945 . . . . 0.0 110.5 168.536 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -64.03 147.64 51.62 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.174 -0.954 . . . . 0.0 112.789 -178.331 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.89 -40.75 3.46 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.111 -0.993 . . . . 0.0 109.279 -177.361 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -108.44 -34.17 6.85 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -168.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.56 48.32 0.12 Allowed 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 158.806 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.54 17.75 7.07 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.151 -0.968 . . . . 0.0 112.785 154.459 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.57 -3.22 56.21 Favored Glycine 0 CA--C 1.571 3.561 0 O-C-N 121.007 -1.058 . . . . 0.0 115.424 164.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -119.06 154.57 32.94 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.083 -1.245 . . . . 0.0 111.668 -175.179 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 mm -94.96 125.12 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 C-N-CA 124.448 1.099 . . . . 0.0 110.279 164.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -108.63 178.86 4.36 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.043 -1.036 . . . . 0.0 112.785 -170.327 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.436 ' CD1' ' HG2' ' B' ' 47' ' ' MET . 2.3 tp -67.81 -39.69 82.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.166 -0.959 . . . . 0.0 110.252 178.191 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.92 -27.35 63.71 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.714 ' O ' HD12 ' A' ' 30' ' ' ILE . 65.3 mt-10 -71.37 -28.3 63.94 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 166.621 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD22 ' SD ' ' B' ' 47' ' ' MET . 31.0 tp -67.39 -63.06 1.14 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.184 -0.948 . . . . 0.0 111.88 -165.104 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -51.42 -38.22 41.65 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.208 -0.932 . . . . 0.0 115.143 178.64 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -80.52 -34.93 35.22 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.18 -1.188 . . . . 0.0 113.854 -172.55 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.714 HD12 ' O ' ' A' ' 26' ' ' GLU . 4.5 mt -51.33 -64.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.158 -0.964 . . . . 0.0 110.175 159.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD21 HG12 ' B' ' 43' ' ' ILE . 4.5 pp -70.77 -0.6 9.27 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.007 -1.058 . . . . 0.0 111.774 -168.104 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -118.03 -75.85 0.58 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.087 -1.008 . . . . 0.0 110.815 169.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.87 155.65 10.16 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -169.615 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.6 p -93.42 24.99 3.62 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.218 -0.926 . . . . 0.0 109.75 170.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.03 -95.96 0.01 OUTLIER Glycine 0 CA--C 1.572 3.651 0 O-C-N 121.192 -0.942 . . . . 0.0 115.122 -170.281 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.407 0 O-C-N 121.272 -1.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 9.0 t 48.88 79.38 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.729 ' O ' HD13 ' B' ' 43' ' ' ILE . 4.7 m -138.93 -125.71 0.12 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.185 -0.947 . . . . 0.0 109.639 -177.142 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -79.78 -28.06 40.34 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.892 -1.13 . . . . 0.0 113.801 162.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.49 -44.72 74.12 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -170.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -52.82 -48.15 67.16 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.222 -0.924 . . . . 0.0 112.663 165.543 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.729 HD13 ' O ' ' B' ' 39' ' ' THR . 2.0 mp -58.43 -60.46 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.311 -0.868 . . . . 0.0 110.134 178.912 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.12 -34.04 77.14 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.975 -1.078 . . . . 0.0 113.742 -168.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -71.37 -34.44 70.45 Favored 'General case' 0 N--CA 1.496 1.873 0 C-N-CA 123.906 0.882 . . . . 0.0 112.686 172.293 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -62.42 -44.23 96.92 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.644 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.526 ' SD ' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -64.9 -35.76 82.17 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.16 -0.962 . . . . 0.0 112.078 176.927 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -27.08 57.58 Favored 'General case' 0 CA--C 1.573 1.864 0 O-C-N 121.246 -0.909 . . . . 0.0 110.342 176.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.92 -43.2 83.94 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.22 -0.925 . . . . 0.0 112.401 174.517 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.3 p -94.76 -26.86 16.08 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.176 -0.952 . . . . 0.0 112.89 -169.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -71.65 81.17 0.84 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.177 -0.952 . . . . 0.0 112.668 -175.152 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -51.35 -61.45 2.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.224 -0.923 . . . . 0.0 109.929 -172.3 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -59.51 -31.39 69.32 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.227 -0.921 . . . . 0.0 113.21 -164.162 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 16.0 m120 55.4 44.21 27.51 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.231 -0.918 . . . . 0.0 113.275 -172.477 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -88.26 -50.87 6.08 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.208 -0.932 . . . . 0.0 112.704 161.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.1 -48.78 0.32 Allowed Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.185 -0.947 . . . . 0.0 115.26 163.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -115.78 168.77 9.75 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.343 -1.093 . . . . 0.0 113.818 -161.576 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.842 HG23 ' HB2' ' B' ' 62' ' ' GLU . 75.2 mt -107.58 148.33 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.042 -1.036 . . . . 0.0 110.205 -172.587 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -105.57 -164.2 1.01 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.069 -1.019 . . . . 0.0 112.814 170.284 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -67.33 -36.01 80.58 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.045 -1.034 . . . . 0.0 111.972 173.317 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -51.86 -84.49 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.135 0 CA-C-O 124.696 2.189 . . . . 0.0 111.609 174.263 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.842 ' HB2' HG23 ' B' ' 58' ' ' ILE . 54.6 mt-10 -29.3 -34.82 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.75 0 CA-C-N 113.96 -1.473 . . . . 0.0 113.96 166.543 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.686 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 57.0 t80 -62.3 -48.08 81.47 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.982 -1.074 . . . . 0.0 111.703 176.367 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.776 ' CD2' HD13 ' A' ' 7' ' ' LEU . 19.8 mt -58.57 -41.97 86.92 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.205 1.402 . . . . 0.0 111.815 174.864 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -66.15 -33.49 75.88 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.09 -1.006 . . . . 0.0 109.415 173.659 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.581 ' HE2' HD13 ' B' ' 58' ' ' ILE . 9.5 ttm -77.42 -28.8 52.72 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -173.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 2.4 ttm -96.7 -17.36 20.38 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.262 -0.899 . . . . 0.0 110.558 -178.66 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -75.23 -78.52 0.11 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 159.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.34 46.3 2.6 Favored Glycine 0 CA--C 1.571 3.583 0 O-C-N 121.166 -0.959 . . . . 0.0 115.103 -167.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.03 98.39 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.275 -1.133 . . . . 0.0 108.53 -178.598 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.57 151.73 35.58 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.242 -0.911 . . . . 0.0 112.017 165.714 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.413 0 O-C-N 121.221 -0.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.351 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.94 41.57 1.09 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.535 -0.728 . . . . 0.0 110.019 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -94.3 76.05 3.95 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.299 -0.875 . . . . 0.0 112.352 167.59 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 8' ' ' ALA 0.258 1.6 mm-40 -104.26 -20.47 13.77 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.269 -0.895 . . . . 0.0 112.002 169.067 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.78 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -70.56 -48.7 54.07 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.338 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.05 -31.66 34.39 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.012 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.52 HD11 ' SD ' ' B' ' 67' ' ' MET . 0.1 OUTLIER -71.29 -14.57 62.26 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.27 -0.894 . . . . 0.0 111.711 162.015 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.78 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -70.75 -68.29 0.44 Allowed 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 167.289 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -34.21 -54.87 0.51 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.275 -0.891 . . . . 0.0 113.268 159.711 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.46 80.39 Favored 'General case' 0 N--CA 1.496 1.875 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -177.544 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.508 ' HE1' HG12 ' A' ' 22' ' ' ILE . 58.1 t80 -68.44 -37.78 80.56 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.188 -0.945 . . . . 0.0 112.275 174.6 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.77 -37.91 67.49 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.157 -0.964 . . . . 0.0 112.928 174.338 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.8 mm -81.59 -33.22 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 C-N-CA 124.329 1.052 . . . . 0.0 110.151 -168.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 30' ' ' ILE . 6.6 m-30 -48.65 -62.85 1.29 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.278 -0.889 . . . . 0.0 110.429 162.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.29 141.15 55.94 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.137 -0.977 . . . . 0.0 112.758 -164.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -74.28 -61.12 1.97 Allowed 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 109.284 -170.048 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 3.3 p30 -96.95 -27.52 14.61 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -167.766 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.2 52.87 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.184 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -84.26 3.51 35.12 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.23 -0.919 . . . . 0.0 112.98 154.449 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.402 ' C ' ' HD1' ' A' ' 21' ' ' TYR . . . 97.43 5.92 57.73 Favored Glycine 0 CA--C 1.571 3.569 0 O-C-N 120.533 -1.354 . . . . 0.0 115.239 163.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' HD1' ' A' ' 21' ' ' TYR . 0.3 OUTLIER -110.38 160.86 16.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.148 -1.207 . . . . 0.0 111.694 174.712 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.681 HG23 ' CD ' ' A' ' 26' ' ' GLU . 7.5 mm -98.09 123.98 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.128 -0.983 . . . . 0.0 110.242 161.01 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -98.96 165.34 11.8 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.004 -1.06 . . . . 0.0 112.703 175.506 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.24 -30.95 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.356 -0.84 . . . . 0.0 110.158 178.56 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -29.87 58.41 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -176.799 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.681 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -64.19 -47.3 80.32 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 121.203 -0.935 . . . . 0.0 113.513 171.182 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD13 ' C ' ' A' ' 27' ' ' LEU . 2.1 tm? -53.48 -61.13 2.5 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 124.986 1.314 . . . . 0.0 111.93 -167.223 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -40.64 -39.55 1.83 Allowed Glycine 0 CA--C 1.572 3.605 0 O-C-N 121.136 -0.977 . . . . 0.0 115.156 173.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -79.38 -31.42 42.86 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.23 -1.159 . . . . 0.0 113.931 -179.433 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.601 HG22 HD23 ' A' ' 31' ' ' LEU . 13.1 mt -54.41 -67.31 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.205 -0.934 . . . . 0.0 110.279 161.768 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.652 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -58.47 -7.8 1.02 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.117 -0.989 . . . . 0.0 111.449 -176.861 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -92.91 -54.42 3.75 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.337 -0.852 . . . . 0.0 110.854 167.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.17 -59.95 3.01 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -161.631 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.78 33.91 1.41 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.233 -0.917 . . . . 0.0 109.727 -164.223 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.29 -76.59 0.24 Allowed Glycine 0 CA--C 1.572 3.599 0 O-C-N 121.164 -0.96 . . . . 0.0 115.055 -175.07 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.393 0 O-C-N 121.234 -1.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.315 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -86.06 98.86 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.468 ' O ' HD12 ' B' ' 43' ' ' ILE . 2.0 p -87.64 159.48 18.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.163 -0.961 . . . . 0.0 109.701 159.261 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -63.36 -27.25 69.18 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 178.923 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.2 -44.79 87.23 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 173.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -58.39 -47.04 85.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.19 -0.943 . . . . 0.0 112.681 174.862 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.468 HD12 ' O ' ' B' ' 39' ' ' THR . 2.5 mp -61.2 -39.81 83.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.187 -0.946 . . . . 0.0 110.299 178.237 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -35.74 57.32 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 179.359 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -73.08 -26.86 61.42 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.044 0.938 . . . . 0.0 112.67 174.402 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.7 -43.45 37.58 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 168.644 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 19.31 0.71 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.084 -1.01 . . . . 0.0 111.968 167.285 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -130.99 -14.45 3.47 Favored 'General case' 0 N--CA 1.498 1.951 0 C-N-CA 123.844 0.858 . . . . 0.0 110.674 162.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.84 -42.11 86.29 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.348 -1.47 . . . . 0.0 112.426 162.587 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -105.72 -24.2 12.57 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.089 -1.007 . . . . 0.0 112.945 -173.257 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -83.18 36.02 0.5 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.277 -0.889 . . . . 0.0 112.805 177.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.46 -20.73 60.9 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.138 -0.976 . . . . 0.0 109.955 -174.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.66 -21.07 24.84 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.184 -0.947 . . . . 0.0 113.229 -177.269 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 20.2 m120 44.32 78.33 0.06 Allowed 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.211 -0.931 . . . . 0.0 113.249 -167.638 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -137.75 -40.46 0.55 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 124.187 0.995 . . . . 0.0 112.641 154.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.75 -24.63 1.8 Allowed Glycine 0 CA--C 1.571 3.547 0 N-CA-C 115.477 0.951 . . . . 0.0 115.477 175.114 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -135.1 157.58 46.57 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.999 -1.295 . . . . 0.0 114.215 -154.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.899 HG23 ' HB2' ' B' ' 62' ' ' GLU . 58.8 mt -110.93 151.92 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 C-N-CA 123.985 0.914 . . . . 0.0 110.425 -166.747 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 52.4 p30 -123.22 165.9 16.13 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.794 -1.191 . . . . 0.0 112.734 171.41 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.78 -33.36 16.23 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.975 -1.078 . . . . 0.0 112.077 -166.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.45 -83.59 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.152 0 CA-C-O 124.7 2.19 . . . . 0.0 111.352 168.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.899 ' HB2' HG23 ' B' ' 58' ' ' ILE . 7.8 mm-40 -22.91 -43.77 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.742 0 CA-C-N 113.793 -1.549 . . . . 0.0 113.569 165.339 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.401 ' HE1' ' HD2' ' A' ' 14' ' ' PHE . 69.4 t80 -59.92 -46.2 90.14 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-O 121.741 0.781 . . . . 0.0 111.841 -179.573 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.11 -46.93 87.97 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 124.47 1.108 . . . . 0.0 111.907 172.598 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -60.21 -36.61 78.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.115 -0.99 . . . . 0.0 109.437 176.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 28.9 ttp -76.05 -49.86 16.36 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -172.108 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . 0.52 ' SD ' HD11 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.19 -10.91 59.85 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.301 -0.875 . . . . 0.0 110.612 176.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -71.97 -65.95 0.7 Allowed 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 158.718 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 106.56 -67.08 0.24 Allowed Glycine 0 CA--C 1.572 3.602 0 O-C-N 121.17 -0.956 . . . . 0.0 115.115 159.608 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.13 126.79 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.304 -1.115 . . . . 0.0 108.489 167.627 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -64.15 139.43 58.77 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.217 -0.927 . . . . 0.0 112.005 -165.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.377 0 O-C-N 121.22 -0.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.357 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -147.05 92.69 2.16 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 123.884 0.874 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -112.84 -11.8 13.4 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.247 -0.908 . . . . 0.0 112.38 163.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.9 tt0 -119.75 -42.0 2.65 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.225 -0.922 . . . . 0.0 111.769 -163.124 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -52.84 -54.33 35.94 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -162.6 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.18 -24.41 19.94 Favored 'General case' 0 N--CA 1.497 1.925 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -167.45 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -38.49 69.04 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.142 -0.974 . . . . 0.0 111.742 164.196 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.42 -60.79 3.17 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 172.3 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -37.31 -52.26 1.08 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.218 -0.926 . . . . 0.0 113.256 162.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.99 -40.82 71.65 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 114.696 1.369 . . . . 0.0 114.696 -173.331 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.685 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 2.0 t80 -69.72 -41.34 75.45 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.331 -0.856 . . . . 0.0 112.049 179.604 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 mtm180 -58.76 -38.78 79.22 Favored 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 124.219 1.008 . . . . 0.0 113.027 166.044 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -76.75 -36.51 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.028 -1.045 . . . . 0.0 110.218 -172.272 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -57.98 -48.33 80.32 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.836 . . . . 0.0 110.426 172.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -73.01 108.75 6.07 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.259 -0.901 . . . . 0.0 112.77 -170.501 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -23.96 66.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.133 -0.979 . . . . 0.0 109.173 -172.561 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.11 -36.61 10.92 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 179.036 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 54.23 46.31 25.52 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 179.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.68 -25.21 64.69 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.233 -0.917 . . . . 0.0 112.721 154.505 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 135.55 -19.44 3.79 Favored Glycine 0 CA--C 1.572 3.648 0 N-CA-C 115.525 0.97 . . . . 0.0 115.525 179.708 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -112.72 166.01 11.76 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.076 -1.25 . . . . 0.0 111.671 -168.38 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.91 155.67 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 C-N-CA 124.332 1.053 . . . . 0.0 110.29 164.826 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -121.92 168.07 12.32 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.141 -0.974 . . . . 0.0 112.68 172.04 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -31.78 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.106 -0.996 . . . . 0.0 110.23 174.385 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.95 -32.15 71.54 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 -179.478 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -76.14 -33.73 59.41 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.3 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.655 HD12 HG21 ' B' ' 43' ' ' ILE . 2.5 tm? -47.76 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.576 1.15 . . . . 0.0 111.913 -169.094 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.531 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -40.6 -43.65 3.03 Favored Glycine 0 CA--C 1.572 3.628 0 O-C-N 121.122 -0.986 . . . . 0.0 115.036 174.157 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.655 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -69.65 -31.11 69.0 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.287 -1.126 . . . . 0.0 113.902 -176.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.622 ' O ' HG22 ' A' ' 34' ' ' THR . 4.8 mm -53.67 -69.5 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 158.756 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.413 HD23 HG22 ' A' ' 30' ' ' ILE . 1.1 mt -56.63 -16.62 6.55 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.222 -0.924 . . . . 0.0 111.421 -166.631 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.568 ' NE ' ' H1 ' ' B' ' 37' ' ' ACE . 2.4 tpt180 -126.15 -59.85 1.3 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.356 -0.84 . . . . 0.0 110.905 -179.151 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 29' ' ' GLU . . . -71.13 -15.24 62.49 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -154.765 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -76.11 -18.43 59.17 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.154 -0.966 . . . . 0.0 109.743 -157.702 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.88 -70.37 0.21 Allowed Glycine 0 CA--C 1.572 3.596 0 O-C-N 121.204 -0.935 . . . . 0.0 115.096 168.01 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.269 -1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . 0.568 ' H1 ' ' NE ' ' A' ' 32' ' ' ARG . . . . . . . . 0 C--O 1.236 0.394 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.527 HG12 ' HD3' ' A' ' 32' ' ' ARG . 0.7 OUTLIER 68.64 165.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 N-CA-C 108.471 -0.936 . . . . 0.0 108.471 . . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.16 134.02 55.29 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.237 -0.914 . . . . 0.0 109.733 178.55 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.05 -59.1 3.75 Favored 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -163.196 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -61.47 -28.5 69.33 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -179.926 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.15 -47.55 82.99 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.204 -0.935 . . . . 0.0 112.7 173.408 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.655 HG21 HD12 ' A' ' 27' ' ' LEU . 2.9 mp -78.49 -36.07 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.208 -0.932 . . . . 0.0 110.212 -177.237 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -39.87 93.07 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 178.826 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.26 -41.44 81.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.343 -0.848 . . . . 0.0 112.659 169.228 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.33 -45.27 76.91 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -176.451 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -47.05 13.06 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.176 -0.953 . . . . 0.0 112.057 -178.53 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -64.55 -24.86 67.74 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.259 -0.901 . . . . 0.0 110.033 -177.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -67.24 -61.0 2.14 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.886 -1.134 . . . . 0.0 112.476 158.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -52.59 -25.75 11.48 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.098 -1.001 . . . . 0.0 112.804 -164.073 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.34 -163.24 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.268 -0.895 . . . . 0.0 112.723 172.698 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.61 -73.4 0.63 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.236 -0.915 . . . . 0.0 110.05 154.811 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -77.47 11.32 2.06 Favored 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -161.381 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 61.09 32.92 19.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.068 -1.02 . . . . 0.0 113.202 -173.046 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.78 63.87 1.72 Allowed 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 124.047 0.939 . . . . 0.0 112.613 154.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.59 -32.4 2.87 Favored Glycine 0 CA--C 1.571 3.589 0 O-C-N 121.298 -0.876 . . . . 0.0 115.224 -162.446 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.18 131.38 32.31 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.175 -1.191 . . . . 0.0 113.859 -179.866 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.903 HG23 ' HB2' ' B' ' 62' ' ' GLU . 53.6 mt -105.96 145.78 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.945 0 O-C-N 121.208 -0.932 . . . . 0.0 110.2 -158.139 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -120.22 176.93 5.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.958 -1.089 . . . . 0.0 112.838 167.422 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.459 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.9 OUTLIER -59.1 -36.56 75.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.046 -1.034 . . . . 0.0 111.957 -157.804 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.4 -77.58 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.667 0 C-N-CA 124.573 1.149 . . . . 0.0 113.821 167.168 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.903 ' HB2' HG23 ' B' ' 58' ' ' ILE . 5.0 mm-40 -31.01 -43.58 0.05 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 168.228 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.685 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 44.2 t80 -57.77 -46.31 84.73 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.188 -0.945 . . . . 0.0 111.86 179.224 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 21.2 mt -64.82 -32.97 74.91 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.278 -0.889 . . . . 0.0 111.763 -176.219 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.55 -36.72 21.94 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.114 -0.991 . . . . 0.0 109.279 -178.268 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 2.5 ttm -53.48 -50.54 65.12 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 169.235 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -54.45 18.89 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.262 -0.899 . . . . 0.0 110.541 -179.607 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -40.53 22.6 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -166.457 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.94 -161.55 20.16 Favored Glycine 0 CA--C 1.571 3.581 0 O-C-N 121.137 -0.977 . . . . 0.0 115.105 165.181 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.3 p -94.36 132.28 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.174 -1.192 . . . . 0.0 108.539 -174.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -90.53 17.67 7.17 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.181 -0.949 . . . . 0.0 111.958 176.504 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.411 0 O-C-N 121.248 -0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -90.73 104.65 17.21 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.523 -0.736 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -79.34 85.5 5.16 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.186 -0.946 . . . . 0.0 112.427 -160.539 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -117.35 42.54 2.54 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.254 -0.904 . . . . 0.0 111.721 169.803 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.91 -68.27 0.34 Allowed 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -177.23 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.77 -25.92 53.92 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -171.148 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 mp -74.92 -21.95 58.9 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.134 0.974 . . . . 0.0 111.743 169.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.32 -56.4 6.09 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 164.527 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -39.29 -60.38 0.92 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.218 -0.926 . . . . 0.0 113.203 163.948 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.48 -43.51 79.71 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 177.843 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -63.2 -44.78 94.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.133 -0.979 . . . . 0.0 112.32 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.25 -30.77 43.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.13 -0.981 . . . . 0.0 112.868 178.089 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.0 mm -66.3 -37.77 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 124.198 0.999 . . . . 0.0 110.334 176.695 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -63.61 -30.68 71.76 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 123.967 0.907 . . . . 0.0 110.396 -174.059 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 58.6 t0 -74.18 133.38 42.74 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.229 -0.919 . . . . 0.0 112.808 -163.419 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -69.23 -58.4 4.1 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.189 -0.944 . . . . 0.0 109.298 175.641 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 8.6 t-20 -88.51 -28.94 20.47 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -168.574 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 78.18 50.03 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 167.624 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -94.29 10.38 34.37 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.205 -0.935 . . . . 0.0 112.712 160.411 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.15 17.12 67.76 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.083 -1.01 . . . . 0.0 115.099 177.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -116.24 164.13 14.96 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.281 -1.129 . . . . 0.0 111.672 -176.398 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.664 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -102.49 131.66 50.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.126 -0.984 . . . . 0.0 110.288 163.581 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 162.12 14.18 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.186 -0.946 . . . . 0.0 112.641 -178.762 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -12.97 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.259 -0.9 . . . . 0.0 110.488 174.194 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -77.76 -37.1 49.83 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.559 -1.338 . . . . 0.0 113.742 169.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.664 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -75.22 -48.38 23.72 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -173.27 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.587 ' CD2' HD23 ' A' ' 31' ' ' LEU . 2.4 tm? -36.79 -69.4 0.11 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 125.078 1.351 . . . . 0.0 112.075 177.225 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.538 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -56.8 -41.84 91.24 Favored Glycine 0 CA--C 1.571 3.545 0 O-C-N 121.097 -1.002 . . . . 0.0 115.147 -169.074 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -33.93 59.1 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.2 -1.176 . . . . 0.0 113.869 -178.745 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 mm -60.16 -66.5 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.223 -0.923 . . . . 0.0 110.28 164.58 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 31' ' ' LEU . 1.3 pp -59.15 -13.21 6.52 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.987 -1.07 . . . . 0.0 111.686 -169.637 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.539 ' N ' HD12 ' A' ' 31' ' ' LEU . 2.3 tpp85 -96.11 -37.93 10.39 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.149 -0.969 . . . . 0.0 110.779 172.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -147.5 148.39 31.16 Favored 'General case' 0 N--CA 1.498 1.929 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -165.17 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.4 m -133.18 153.86 51.15 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.24 -0.912 . . . . 0.0 109.86 -166.439 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.58 -173.37 25.99 Favored Glycine 0 CA--C 1.572 3.611 0 O-C-N 121.167 -0.958 . . . . 0.0 115.068 160.082 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.436 0 O-C-N 121.194 -1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.616 HG23 ' CB ' ' B' ' 42' ' ' ASP . 1.3 p -155.54 134.15 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.98 -163.57 0.75 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.208 -0.932 . . . . 0.0 109.701 -167.275 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.22 -32.91 65.05 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 160.517 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.97 -20.89 66.72 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -178.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.616 ' CB ' HG23 ' B' ' 38' ' ' VAL . 4.5 m-20 -78.99 -41.18 29.66 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.247 -0.908 . . . . 0.0 112.712 179.32 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.573 HG12 HD11 ' A' ' 27' ' ' LEU . 6.2 mt -58.2 -52.41 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.142 -0.974 . . . . 0.0 110.221 164.477 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.23 -30.75 71.66 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.74 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -75.95 -28.48 57.96 Favored 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 124.045 0.938 . . . . 0.0 112.7 174.281 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tt -71.73 -47.03 56.54 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 167.622 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 7.4 tpt -86.57 19.38 2.88 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.852 -1.155 . . . . 0.0 112.076 170.897 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -48.12 4.26 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.233 -0.917 . . . . 0.0 109.86 157.205 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -67.56 -49.37 63.57 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.346 -0.846 . . . . 0.0 112.494 -173.189 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.16 -13.89 59.87 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.263 -0.898 . . . . 0.0 113.053 172.802 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -82.14 16.12 2.09 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.151 -0.968 . . . . 0.0 112.655 -179.653 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' B' ' 53' ' ' ASN . 0.0 OUTLIER -60.4 -43.64 96.47 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.21 -0.931 . . . . 0.0 109.971 -166.071 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.437 ' N ' ' HG2' ' B' ' 52' ' ' LYS . 9.1 p30 -71.59 -1.17 12.63 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -168.791 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 62.4 41.68 9.79 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.752 -1.217 . . . . 0.0 113.232 -176.763 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -109.99 75.23 0.93 Allowed 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.954 1.301 . . . . 0.0 112.637 154.176 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -54.97 2.56 0.03 OUTLIER Glycine 0 CA--C 1.571 3.541 0 O-C-N 121.278 -0.889 . . . . 0.0 115.158 -179.94 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.5 146.64 41.49 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.277 -1.131 . . . . 0.0 113.843 157.119 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.849 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.2 mt -104.5 151.89 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.041 -1.037 . . . . 0.0 110.231 -162.148 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -111.51 -170.57 1.67 Allowed 'General case' 0 N--CA 1.498 1.925 0 C-N-CA 124.38 1.072 . . . . 0.0 112.81 164.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -69.63 -29.93 67.53 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.817 -1.177 . . . . 0.0 112.065 -171.621 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -50.93 -83.02 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.122 0 CA-C-O 124.748 2.213 . . . . 0.0 111.41 169.871 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.849 ' HB2' HG23 ' B' ' 58' ' ' ILE . 1.8 mp0 -21.02 -44.18 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.724 0 CA-C-N 113.798 -1.546 . . . . 0.0 113.666 162.469 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -59.87 -51.03 71.44 Favored 'General case' 0 N--CA 1.499 1.981 0 CA-C-O 121.823 0.82 . . . . 0.0 111.642 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.05 -31.55 70.08 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 124.649 1.18 . . . . 0.0 111.817 176.132 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.08 -37.59 69.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.112 -0.993 . . . . 0.0 109.294 171.956 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.616 ' HE2' HD13 ' B' ' 58' ' ' ILE . 1.5 ttp -74.18 -31.31 62.63 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -171.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.52 -82.19 0.05 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.22 -0.925 . . . . 0.0 110.585 160.427 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -44.3 97.23 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -164.495 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 60.1 -94.33 0.07 OUTLIER Glycine 0 CA--C 1.573 3.677 0 N-CA-C 115.84 1.096 . . . . 0.0 115.84 154.074 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.56 102.67 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.508 1.123 . . . . 0.0 109.082 -153.739 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -36.26 112.18 0.17 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.417 -0.802 . . . . 0.0 111.843 155.521 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.377 0 O-C-N 121.247 -0.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.37 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -132.62 52.47 2.08 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.547 -0.72 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -155.47 -76.32 0.1 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.341 -0.849 . . . . 0.0 112.355 -173.918 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.257 0.1 OUTLIER -83.71 -19.36 35.37 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.326 -0.859 . . . . 0.0 112.159 169.222 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.99 -37.0 85.39 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.821 -1.174 . . . . 0.0 113.863 -161.136 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -46.1 13.58 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -177.574 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.669 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -63.17 -13.14 33.6 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.175 -0.953 . . . . 0.0 111.785 166.454 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.77 -46.43 11.41 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 171.408 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -50.94 -43.3 60.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.264 -0.898 . . . . 0.0 113.243 162.639 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.23 -33.9 56.06 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -178.378 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.655 ' HE1' HG13 ' A' ' 22' ' ' ILE . 16.7 t80 -68.44 -35.42 77.58 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.232 -0.918 . . . . 0.0 112.205 173.633 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -66.18 -40.38 90.41 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.003 -1.06 . . . . 0.0 112.927 165.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mm -71.57 -28.17 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 C-N-CA 124.328 1.051 . . . . 0.0 110.272 -173.218 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.597 ' HD2' ' CE2' ' B' ' 63' ' ' PHE . 5.5 m-85 -73.8 -43.53 58.61 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.059 0.944 . . . . 0.0 110.412 174.436 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -70.57 125.07 25.78 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.227 -0.92 . . . . 0.0 112.786 -175.061 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -37.93 83.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.066 -1.022 . . . . 0.0 109.221 -165.723 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -114.16 0.47 14.25 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.28 46.99 12.03 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 163.183 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -87.26 8.63 23.33 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.216 -0.928 . . . . 0.0 112.677 161.407 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.05 35.15 71.1 Favored Glycine 0 CA--C 1.572 3.626 0 O-C-N 121.19 -0.944 . . . . 0.0 115.141 -178.221 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.23 158.57 33.72 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.294 -1.121 . . . . 0.0 111.629 169.824 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.655 HG13 ' HE1' ' A' ' 11' ' ' PHE . 1.8 mt -109.1 153.16 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.015 -1.053 . . . . 0.0 110.22 160.109 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.5 p-10 -129.54 167.61 17.64 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.031 -1.043 . . . . 0.0 112.726 168.686 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.539 HD11 HG22 ' B' ' 43' ' ' ILE . 0.0 OUTLIER -61.18 -30.46 47.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.256 -0.903 . . . . 0.0 110.156 -178.806 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.81 -23.09 39.48 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.873 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.77 -29.05 61.0 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 164.225 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 27' ' ' LEU . 2.1 tt -63.57 -70.06 0.24 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.105 -0.997 . . . . 0.0 111.872 -163.078 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.65 -28.79 47.08 Favored Glycine 0 CA--C 1.571 3.55 0 O-C-N 121.223 -0.923 . . . . 0.0 115.118 178.663 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.79 -45.74 88.32 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.215 -1.168 . . . . 0.0 113.908 171.186 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -50.73 -57.27 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.147 -0.971 . . . . 0.0 110.203 168.193 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -60.95 -15.76 34.91 Favored 'General case' 0 CA--C 1.574 1.895 0 O-C-N 121.134 -0.979 . . . . 0.0 111.42 -176.577 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.2 ttm180 -119.28 -2.11 10.7 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.234 -0.916 . . . . 0.0 111.392 -177.293 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -48.3 -24.89 1.34 Allowed 'General case' 0 N--CA 1.499 1.99 0 N-CA-C 115.103 1.519 . . . . 0.0 115.103 178.739 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.7 p -77.54 151.55 34.47 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.107 -0.996 . . . . 0.0 109.725 -172.112 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 173.11 -142.35 6.64 Favored Glycine 0 CA--C 1.571 3.559 0 O-C-N 121.157 -0.964 . . . . 0.0 115.091 161.812 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.394 0 O-C-N 121.216 -1.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.338 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -89.66 162.29 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 12.2 p -130.99 -177.87 4.57 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.172 -0.955 . . . . 0.0 109.704 169.649 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.88 -31.76 73.04 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 175.359 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.43 -16.11 61.82 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 172.365 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -84.88 -33.85 22.71 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.227 -0.921 . . . . 0.0 112.698 168.725 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.539 HG22 HD11 ' A' ' 24' ' ' ILE . 9.1 mm -57.58 -39.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.069 -1.02 . . . . 0.0 110.226 161.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -34.38 71.31 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 178.731 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -59.58 -48.61 80.99 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.26 -0.9 . . . . 0.0 112.679 167.109 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 tt -74.11 -45.19 50.57 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -173.661 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.464 ' HE3' ' CD1' ' B' ' 58' ' ' ILE . 0.0 OUTLIER -86.73 5.62 35.41 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.045 -1.035 . . . . 0.0 112.159 -179.518 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.49 -33.04 12.0 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.257 -0.902 . . . . 0.0 110.084 157.071 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -67.15 -23.94 65.84 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.565 -0.71 . . . . 0.0 112.442 -178.78 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -102.11 -43.87 5.62 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.338 -0.851 . . . . 0.0 112.923 171.851 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -80.89 -3.32 50.92 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.222 -0.924 . . . . 0.0 112.755 -155.202 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 16.51 0.14 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.136 -0.978 . . . . 0.0 110.497 -161.092 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -72.58 9.18 1.14 Allowed 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.982 -1.074 . . . . 0.0 113.612 164.114 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.4 m120 60.23 35.87 20.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.916 -1.115 . . . . 0.0 113.27 176.625 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -117.71 67.06 0.75 Allowed 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 125.001 1.32 . . . . 0.0 112.565 154.541 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -43.63 -28.4 1.05 Allowed Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.183 0.833 . . . . 0.0 115.183 -166.203 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 -101.72 154.89 18.48 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.208 -1.172 . . . . 0.0 113.821 174.526 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.955 HG23 ' HB2' ' B' ' 62' ' ' GLU . 14.2 mt -107.34 149.72 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.171 -0.955 . . . . 0.0 110.195 -154.454 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -125.06 -175.85 3.41 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.095 -1.003 . . . . 0.0 112.866 169.585 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.463 ' HD1' ' O ' ' B' ' 60' ' ' PHE . 0.8 OUTLIER -59.46 -40.81 88.06 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 120.79 -1.194 . . . . 0.0 112.322 -163.801 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.75 -78.46 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.768 -1.207 . . . . 0.0 113.604 166.124 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.955 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.5 mt-10 -34.27 -39.86 0.08 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 172.449 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.597 ' CE2' ' HD2' ' A' ' 14' ' ' PHE . 52.4 t80 -57.02 -54.01 51.62 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.596 -1.315 . . . . 0.0 112.175 175.536 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.669 HD23 HD12 ' A' ' 7' ' ' LEU . 53.1 mt -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.302 -0.874 . . . . 0.0 111.767 -178.408 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -81.48 -44.6 17.19 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.126 -0.984 . . . . 0.0 109.323 -178.284 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 14.8 ttp -60.3 -33.57 72.56 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 178.581 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.89 -85.27 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.191 -0.943 . . . . 0.0 110.531 161.447 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -94.51 -20.35 19.73 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 -155.456 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -99.79 4.47 57.8 Favored Glycine 0 CA--C 1.572 3.644 0 O-C-N 121.179 -0.95 . . . . 0.0 115.141 -162.167 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.448 ' O ' HG12 ' B' ' 70' ' ' VAL . 0.9 OUTLIER -109.51 99.79 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.234 -1.157 . . . . 0.0 108.498 -158.356 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -143.79 -80.3 0.19 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.231 -0.918 . . . . 0.0 111.98 -176.038 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 0.474 0 O-C-N 121.132 -0.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.377 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 165.53 27.27 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.307 1.043 . . . . 0.0 110.084 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.2 95.88 7.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.328 -0.857 . . . . 0.0 112.389 178.255 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 7.5 tt0 -56.73 -24.89 52.89 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.191 -0.943 . . . . 0.0 111.935 176.809 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.804 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.0 tt0 -55.38 -44.33 75.97 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -157.522 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.66 -51.94 8.13 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -172.403 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.932 HD12 HD23 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -46.92 -46.15 21.09 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.144 -0.973 . . . . 0.0 111.675 160.222 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -42.24 -69.65 0.13 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 166.417 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 -48.33 -48.94 35.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.198 -0.939 . . . . 0.0 113.254 178.571 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.48 -30.08 70.82 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 177.438 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 69.7 t80 -72.41 -30.81 64.97 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.132 -0.98 . . . . 0.0 112.132 173.504 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' HA ' ' HD2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -69.31 -49.86 51.94 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.108 -0.995 . . . . 0.0 112.869 162.724 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.9 mm -66.7 -31.58 54.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 C-N-CA 124.125 0.97 . . . . 0.0 110.306 -167.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' A' ' 30' ' ' ILE . 12.8 m-85 -63.0 -78.96 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.28 -0.888 . . . . 0.0 110.395 162.202 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -46.7 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.191 -0.943 . . . . 0.0 112.846 -176.87 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 36.59 0.97 Allowed 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.14 -0.975 . . . . 0.0 109.408 -165.345 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -165.02 -32.97 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.917 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 178.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.13 37.45 0.98 Allowed 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 157.669 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -54.58 -28.85 49.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.22 -0.925 . . . . 0.0 112.748 156.517 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 148.97 -39.05 0.96 Allowed Glycine 0 CA--C 1.572 3.627 0 O-C-N 121.202 -0.936 . . . . 0.0 115.138 -179.515 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -109.82 173.27 6.4 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.256 -1.143 . . . . 0.0 111.774 -158.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' B' ' 63' ' ' PHE . 18.1 mt -112.87 141.65 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.955 -1.091 . . . . 0.0 110.297 164.617 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -124.85 164.43 20.04 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.16 -0.963 . . . . 0.0 112.699 -169.346 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.81 -21.76 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.198 -0.939 . . . . 0.0 110.339 -179.274 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -73.9 -31.59 63.19 Favored 'General case' 0 CA--C 1.573 1.827 0 O-C-N 120.899 -1.126 . . . . 0.0 113.715 169.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -74.05 -29.36 61.86 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 165.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 28' ' ' GLY . 2.2 tm? -51.78 -85.68 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 124.109 0.964 . . . . 0.0 111.903 -178.149 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 27' ' ' LEU . . . -51.69 -29.81 26.45 Favored Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.138 -0.976 . . . . 0.0 115.11 -177.14 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.669 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 10.4 tt0 -80.49 -29.42 37.37 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -1.131 . . . . 0.0 113.866 -179.206 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.445 HD11 ' HB3' ' A' ' 14' ' ' PHE . 61.8 mt -53.81 -71.97 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.216 -0.928 . . . . 0.0 110.248 155.391 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.21 -11.81 58.37 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.192 -0.942 . . . . 0.0 111.728 -163.729 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.4 ttm-85 -106.38 -20.41 13.39 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.223 -0.923 . . . . 0.0 110.833 174.547 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 29' ' ' GLU . . . -39.43 150.32 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 179.541 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -82.46 -171.37 3.43 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.165 -0.959 . . . . 0.0 109.752 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.32 24.87 32.64 Favored Glycine 0 CA--C 1.572 3.622 0 O-C-N 121.2 -0.938 . . . . 0.0 115.076 -157.01 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.366 0 O-C-N 121.268 -1.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.329 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 t 74.14 98.68 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.73 -156.75 0.75 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.169 -0.957 . . . . 0.0 109.728 -166.842 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -62.87 -25.56 68.35 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -165.273 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -67.18 -49.68 63.77 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 177.022 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -62.99 -42.97 99.99 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.179 -0.951 . . . . 0.0 112.638 178.4 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.442 HG21 HD12 ' A' ' 27' ' ' LEU . 5.5 mm -65.46 -32.42 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.255 -0.903 . . . . 0.0 110.272 176.605 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -41.51 92.35 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.153 -0.967 . . . . 0.0 113.555 168.234 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.46 -40.33 68.31 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.391 -0.818 . . . . 0.0 112.651 172.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.88 -51.64 66.85 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 162.325 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.48 20.73 1.62 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.83 -1.169 . . . . 0.0 112.049 -166.433 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -136.81 -26.67 1.05 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.462 -0.773 . . . . 0.0 110.819 160.474 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -60.55 -25.27 66.04 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.091 -1.006 . . . . 0.0 112.251 167.366 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -98.31 -59.7 1.7 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.399 -0.813 . . . . 0.0 112.973 158.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -83.25 142.78 30.88 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.276 -0.89 . . . . 0.0 112.868 -154.311 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.9 115.06 18.35 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.138 -0.976 . . . . 0.0 109.865 153.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -69.39 -57.77 4.85 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.132 -0.98 . . . . 0.0 113.148 -154.596 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 42.74 89.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.891 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -157.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 0.83 54.29 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.604 1.162 . . . . 0.0 112.725 -152.682 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.14 40.27 8.07 Favored Glycine 0 CA--C 1.572 3.616 0 O-C-N 121.236 -0.915 . . . . 0.0 115.134 154.437 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -141.92 136.55 30.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.248 -1.148 . . . . 0.0 113.927 177.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.734 HG23 ' HB2' ' B' ' 62' ' ' GLU . 74.3 mt -110.43 139.18 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 O-C-N 121.229 -0.919 . . . . 0.0 110.307 -169.524 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 38.4 p-10 -115.68 177.39 4.69 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.903 -1.123 . . . . 0.0 112.804 167.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.414 ' HA ' ' CE1' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -59.48 -37.2 77.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.848 -1.158 . . . . 0.0 112.196 -161.9 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.57 -78.9 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.688 0 O-C-N 120.849 -1.157 . . . . 0.0 113.746 164.659 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.734 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.2 mt-10 -35.05 -31.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 171.52 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.687 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 38.1 t80 -62.05 -54.02 47.29 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.49 -1.382 . . . . 0.0 111.978 172.552 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.932 HD23 HD12 ' A' ' 7' ' ' LEU . 62.6 mt -59.13 -28.1 66.24 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 111.773 -177.115 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -88.33 -41.59 12.77 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.174 -0.954 . . . . 0.0 109.362 -178.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 3.3 ttp -50.61 -41.31 54.73 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 170.119 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.5 tpt -79.83 -60.83 2.19 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.229 -0.919 . . . . 0.0 110.555 175.469 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.99 -20.58 13.49 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -159.476 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -32.01 148.24 0.01 OUTLIER Glycine 0 CA--C 1.572 3.599 0 O-C-N 121.158 -0.964 . . . . 0.0 115.128 164.394 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -119.43 154.09 22.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.275 -1.132 . . . . 0.0 108.494 158.277 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -120.12 22.28 11.48 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.147 -0.97 . . . . 0.0 112.127 176.591 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.396 0 O-C-N 121.222 -0.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.326 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -87.78 168.4 12.98 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.562 -0.711 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 p -41.76 98.42 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.235 -0.916 . . . . 0.0 112.349 168.154 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 4.7 pt-20 -156.55 -34.72 0.08 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.238 -0.914 . . . . 0.0 111.87 165.203 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.89 -17.92 56.77 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -168.361 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.62 -19.54 18.23 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 178.023 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 1.1 mt -73.09 -17.31 61.42 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 123.985 0.914 . . . . 0.0 111.754 155.312 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.09 -34.69 22.17 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 170.386 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -70.41 -31.81 69.17 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.214 -0.929 . . . . 0.0 113.291 163.596 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 7' ' ' LEU . . . -69.99 -41.7 74.05 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 168.543 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.716 ' HE1' HG13 ' A' ' 22' ' ' ILE . 5.9 t80 -70.81 -37.85 73.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.303 -0.873 . . . . 0.0 112.06 -179.865 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -50.0 75.45 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.208 -0.932 . . . . 0.0 112.881 164.561 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mm -64.34 -31.24 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 C-N-CA 123.952 0.901 . . . . 0.0 110.343 -171.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CE2' HG23 ' A' ' 30' ' ' ILE . 3.1 m-30 -70.74 -35.82 72.85 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.395 173.102 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -78.31 102.33 7.63 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.212 -0.93 . . . . 0.0 112.849 -174.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.605 ' HE3' HD21 ' A' ' 17' ' ' ASN . 0.0 OUTLIER -93.77 21.85 6.11 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.153 -0.967 . . . . 0.0 109.784 -168.02 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.605 HD21 ' HE3' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -139.26 -27.45 0.8 Allowed 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 168.338 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 81.63 54.02 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 156.524 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.16 11.47 31.26 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 124.423 1.089 . . . . 0.0 112.715 158.93 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.5 16.31 71.43 Favored Glycine 0 CA--C 1.572 3.597 0 O-C-N 121.071 -1.018 . . . . 0.0 115.15 175.287 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -121.54 169.43 10.68 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.258 -1.142 . . . . 0.0 111.719 178.081 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' HE1' ' A' ' 11' ' ' PHE . 8.0 mt -113.22 160.61 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 121.193 -0.942 . . . . 0.0 110.233 163.887 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -110.27 167.41 10.21 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.12 -0.987 . . . . 0.0 112.679 167.161 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.646 HD12 ' SD ' ' B' ' 47' ' ' MET . 3.3 tt -62.19 -30.56 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 O-C-N 121.335 -0.853 . . . . 0.0 110.191 177.097 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -74.14 -33.92 63.69 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.648 ' O ' HD13 ' A' ' 30' ' ' ILE . 62.6 mt-10 -70.78 -36.64 73.15 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 170.733 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -43.34 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.253 -0.904 . . . . 0.0 111.903 -179.656 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -42.23 -43.51 4.64 Favored Glycine 0 CA--C 1.572 3.614 0 O-C-N 121.177 -0.952 . . . . 0.0 115.134 -172.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -27.9 48.68 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.245 -1.15 . . . . 0.0 113.925 -173.349 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.648 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.8 OUTLIER -53.58 -60.46 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.244 -0.91 . . . . 0.0 110.174 156.594 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.801 HD11 HD11 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -54.66 -31.98 58.45 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.146 -0.971 . . . . 0.0 111.367 -173.523 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HD2' HG21 ' B' ' 38' ' ' VAL . 0.3 OUTLIER -79.01 -54.41 6.05 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.389 -0.819 . . . . 0.0 110.774 -176.83 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.82 -162.61 0.5 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.757 1.391 . . . . 0.0 114.757 -169.231 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 p -138.45 -54.2 0.62 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.238 -0.914 . . . . 0.0 109.835 -162.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.74 154.09 21.32 Favored Glycine 0 CA--C 1.571 3.589 0 O-C-N 121.205 -0.935 . . . . 0.0 115.109 -165.436 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.381 0 O-C-N 121.207 -1.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.429 HG21 ' HD2' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -148.27 97.49 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 . . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -88.95 166.03 14.2 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.26 -0.9 . . . . 0.0 109.762 -172.175 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.446 ' N ' ' CG2' ' B' ' 39' ' ' THR . 7.6 mm-40 -60.69 -58.18 9.55 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 166.059 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -63.66 -19.03 64.57 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.57 -42.21 15.69 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.18 -0.95 . . . . 0.0 112.64 178.372 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 mt -63.04 -26.75 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.265 -0.897 . . . . 0.0 110.278 167.352 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.6 -31.82 36.57 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 173.247 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -62.36 -41.95 99.01 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.244 -0.91 . . . . 0.0 112.666 169.595 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 26.9 tp -76.68 -43.86 36.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 177.242 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.646 ' SD ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -86.56 13.71 8.04 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.122 -0.986 . . . . 0.0 112.224 178.36 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -28.55 7.68 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.219 -0.926 . . . . 0.0 110.113 163.697 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.34 -38.54 85.02 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.859 -1.151 . . . . 0.0 112.474 165.024 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 42.9 t -101.82 -28.53 12.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.24 -0.913 . . . . 0.0 112.837 -168.546 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -61.12 99.71 0.1 Allowed 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.265 -0.897 . . . . 0.0 112.719 178.64 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -60.28 -75.18 0.06 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.238 -0.914 . . . . 0.0 109.987 169.548 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -68.96 -3.8 14.24 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.25 -0.906 . . . . 0.0 113.308 -156.254 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.9 m120 50.52 25.82 2.14 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.082 -1.011 . . . . 0.0 113.289 177.619 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.23 -17.71 23.35 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.257 -0.902 . . . . 0.0 112.812 163.14 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.34 19.82 17.42 Favored Glycine 0 CA--C 1.571 3.547 0 O-C-N 120.889 -1.132 . . . . 0.0 115.225 170.16 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.6 147.93 28.02 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.16 -1.2 . . . . 0.0 113.849 -168.464 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.722 HG23 ' HB2' ' B' ' 62' ' ' GLU . 61.0 mt -108.36 155.83 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.162 -0.961 . . . . 0.0 110.154 -160.103 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -131.28 -173.2 3.04 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 124.186 0.994 . . . . 0.0 112.783 165.164 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.546 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 3.9 t80 -64.55 -40.31 95.34 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.797 -1.189 . . . . 0.0 112.116 -156.094 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.5 -76.82 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.689 0 O-C-N 120.852 -1.155 . . . . 0.0 113.551 166.079 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.722 ' HB2' HG23 ' B' ' 58' ' ' ILE . 0.3 OUTLIER -29.13 -49.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 169.24 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -53.45 -45.57 69.55 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.447 -0.783 . . . . 0.0 112.194 179.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.74 -35.1 78.68 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.219 -0.925 . . . . 0.0 111.784 -179.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -88.98 -40.94 12.67 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.158 -0.963 . . . . 0.0 109.35 -171.577 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -17.82 41.73 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 168.817 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -77.1 0.42 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.191 -0.943 . . . . 0.0 110.559 171.119 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.29 -37.63 83.89 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -174.828 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.4 70.2 0.85 Allowed Glycine 0 CA--C 1.572 3.632 0 O-C-N 121.231 -0.918 . . . . 0.0 115.075 161.312 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -86.97 171.53 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.297 -1.119 . . . . 0.0 108.528 -169.241 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -140.04 140.14 36.11 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.208 -0.932 . . . . 0.0 111.991 157.101 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.382 0 O-C-N 121.212 -0.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.294 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -83.13 105.97 14.54 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.546 -0.722 . . . . 0.0 109.951 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 t -110.48 -74.22 0.66 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.291 -0.881 . . . . 0.0 112.389 -160.76 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 5.6 pt-20 -157.11 -33.42 0.08 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.228 -0.92 . . . . 0.0 111.824 -164.366 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.775 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.5 tt0 -54.02 -30.3 47.05 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -165.764 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -86.14 -56.02 3.65 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -172.264 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD22 HD23 ' B' ' 64' ' ' LEU . 2.9 mp -52.1 -13.96 0.37 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.23 -0.919 . . . . 0.0 111.769 158.096 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.775 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -76.49 -50.17 14.68 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 168.887 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.77 -43.85 94.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.188 -0.945 . . . . 0.0 113.203 168.223 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -36.43 84.06 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 176.581 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.781 ' HE1' HG13 ' A' ' 22' ' ' ILE . 4.9 t80 -72.78 -34.6 67.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.289 -0.882 . . . . 0.0 112.181 177.364 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HD3' ' HA ' ' A' ' 12' ' ' ARG . 0.9 OUTLIER -62.03 -44.98 95.54 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.209 -0.932 . . . . 0.0 112.94 161.196 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -79.3 -33.01 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 C-N-CA 124.41 1.084 . . . . 0.0 110.181 -163.701 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.404 ' CD2' ' HE1' ' B' ' 63' ' ' PHE . 6.9 m-30 -55.43 -39.89 70.84 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.271 -0.893 . . . . 0.0 110.41 166.766 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -78.47 138.6 38.53 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.179 -0.951 . . . . 0.0 112.807 -168.124 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.71 ' HG2' ' N ' ' A' ' 17' ' ' ASN . 0.0 OUTLIER -67.05 -63.95 0.95 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.088 -1.007 . . . . 0.0 109.26 165.775 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.71 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 48.5 t-20 -90.31 -36.93 14.39 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -156.914 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 73.33 36.72 0.79 Allowed 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 170.315 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -76.02 4.49 8.27 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.285 -0.884 . . . . 0.0 112.957 155.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.83 -4.99 57.94 Favored Glycine 0 CA--C 1.57 3.514 0 O-C-N 120.721 -1.237 . . . . 0.0 115.359 167.683 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -118.13 152.41 35.67 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.087 -1.243 . . . . 0.0 111.757 -175.645 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.781 HG13 ' HE1' ' A' ' 11' ' ' PHE . 5.6 mt -104.09 133.81 47.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.074 -1.016 . . . . 0.0 110.28 165.904 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -102.23 168.83 9.1 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.149 -0.969 . . . . 0.0 112.79 178.394 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 tt -66.03 -25.15 35.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.283 -0.886 . . . . 0.0 110.364 -177.747 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -66.21 -40.19 90.17 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.856 -1.153 . . . . 0.0 113.645 169.547 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -68.48 -43.53 76.72 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 177.447 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD22 HD11 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -47.44 -70.95 0.08 Allowed 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 124.48 1.112 . . . . 0.0 111.954 -175.872 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.691 ' HA2' HD12 ' A' ' 31' ' ' LEU . . . -27.79 -52.82 0.1 OUTLIER Glycine 0 CA--C 1.572 3.625 0 O-C-N 121.098 -1.001 . . . . 0.0 115.152 163.184 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -73.08 -30.29 63.57 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.286 -1.126 . . . . 0.0 113.868 -172.628 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.2 mm -60.76 -61.3 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 121.224 -0.923 . . . . 0.0 110.254 165.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.691 HD12 ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -51.46 -31.39 23.11 Favored 'General case' 0 CA--C 1.575 1.913 0 O-C-N 121.206 -0.934 . . . . 0.0 111.317 -178.683 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 tpp85 -101.35 -32.63 10.38 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.4 -0.813 . . . . 0.0 110.84 -165.23 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.23 145.39 41.09 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 177.394 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.6 t -162.86 55.09 0.2 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.21 -0.931 . . . . 0.0 109.757 164.281 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.61 116.8 1.1 Allowed Glycine 0 CA--C 1.572 3.606 0 O-C-N 121.258 -0.902 . . . . 0.0 115.128 -168.227 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.379 0 O-C-N 121.26 -1.141 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.322 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 90.1 t 59.58 78.52 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.404 ' O ' HD13 ' B' ' 43' ' ' ILE . 81.4 p -141.22 -178.0 5.39 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.236 -0.915 . . . . 0.0 109.733 -167.171 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 -29.7 36.79 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 177.013 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -67.99 -31.69 71.58 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -179.242 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.59 -42.96 93.73 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.179 -0.951 . . . . 0.0 112.659 163.642 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.404 HD13 ' O ' ' B' ' 39' ' ' THR . 1.4 mp -62.53 -39.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.148 -0.97 . . . . 0.0 110.26 174.759 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.84 -34.2 77.39 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 177.502 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -70.08 -47.71 60.77 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 123.873 0.869 . . . . 0.0 112.7 175.039 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 49.4 tp -58.55 -44.07 89.55 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 175.549 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -68.89 -36.58 78.24 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.188 -0.945 . . . . 0.0 112.091 179.376 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.81 -31.45 72.08 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 124.111 0.964 . . . . 0.0 110.245 172.447 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -60.7 -70.68 0.16 Allowed 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.477 -0.764 . . . . 0.0 112.371 172.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -59.16 -31.3 68.85 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.185 -0.947 . . . . 0.0 112.71 -176.683 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -75.61 142.95 42.54 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.185 -0.947 . . . . 0.0 112.675 -173.117 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -160.5 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.217 -0.927 . . . . 0.0 109.91 154.858 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -74.91 -56.58 4.61 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.171 -0.956 . . . . 0.0 113.107 -170.138 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m120 60.22 102.77 0.02 OUTLIER 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 157.449 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -34.35 -34.1 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 124.629 1.172 . . . . 0.0 112.8 166.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.15 -66.44 0.08 OUTLIER Glycine 0 CA--C 1.57 3.494 0 O-C-N 121.013 -1.054 . . . . 0.0 115.369 167.511 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 43.9 mtm-85 -93.21 167.59 11.66 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.069 -1.253 . . . . 0.0 114.163 -154.198 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.962 HG23 ' HB2' ' B' ' 62' ' ' GLU . 21.4 mt -109.05 138.72 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 C-N-CA 124.013 0.925 . . . . 0.0 110.311 -169.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -130.08 179.64 5.76 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.033 -1.042 . . . . 0.0 112.884 174.543 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.54 ' HB2' ' HE2' ' A' ' 11' ' ' PHE . 1.2 t80 -55.8 -39.9 71.97 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.702 -1.249 . . . . 0.0 112.208 -154.506 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.71 -76.73 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.701 0 O-C-N 120.717 -1.239 . . . . 0.0 113.584 163.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.962 ' HB2' HG23 ' B' ' 58' ' ' ILE . 2.9 mm-40 -32.36 -47.42 0.15 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 169.069 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.404 ' HE1' ' CD2' ' A' ' 14' ' ' PHE . 63.7 t80 -54.21 -43.03 70.45 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.087 -1.008 . . . . 0.0 112.199 179.539 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.415 HD23 HD22 ' A' ' 7' ' ' LEU . 32.8 mt -66.08 -41.21 91.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.235 -0.916 . . . . 0.0 111.772 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -75.89 -39.4 56.48 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.209 -0.932 . . . . 0.0 109.312 -176.198 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 33.4 ttp -68.08 -22.9 64.89 Favored 'General case' 0 N--CA 1.497 1.921 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 174.138 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 6.0 tpt -74.56 -38.3 62.75 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.187 -0.946 . . . . 0.0 110.545 171.468 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -80.84 -28.14 36.22 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 176.096 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.07 88.0 0.18 Allowed Glycine 0 CA--C 1.572 3.627 0 O-C-N 121.264 -0.897 . . . . 0.0 115.157 159.45 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -116.03 155.02 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.299 -1.118 . . . . 0.0 108.482 -173.33 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -164.63 111.38 1.02 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.217 -0.927 . . . . 0.0 111.936 -164.423 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.406 0 O-C-N 121.178 -0.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.328 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -149.43 93.83 2.12 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.514 -0.741 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 p -75.75 99.74 4.49 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.177 -0.952 . . . . 0.0 112.419 -172.212 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.254 0.0 OUTLIER -82.52 12.25 4.78 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.325 -0.86 . . . . 0.0 111.933 -169.847 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -53.71 -57.55 10.41 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 167.255 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -57.67 -33.75 68.68 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -175.096 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.671 HD12 ' CD2' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -74.15 -28.05 61.13 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.213 1.005 . . . . 0.0 111.746 171.921 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.01 -51.03 17.18 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 168.626 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -45.21 -49.09 12.52 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.278 -0.888 . . . . 0.0 113.24 164.554 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.24 79.89 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 175.215 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.742 ' HD1' ' CD2' ' B' ' 63' ' ' PHE . 79.4 t80 -69.95 -44.02 70.39 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.296 -0.877 . . . . 0.0 112.185 -178.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -56.85 -51.3 69.56 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.189 -0.944 . . . . 0.0 112.885 164.041 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mm -59.69 -29.27 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 C-N-CA 123.819 0.848 . . . . 0.0 110.327 -169.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -71.73 -53.62 12.88 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.299 -0.876 . . . . 0.0 110.408 177.609 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -72.28 124.36 24.92 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.185 -0.947 . . . . 0.0 112.76 -165.031 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -61.41 -43.68 98.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.04 -1.037 . . . . 0.0 109.173 -164.553 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.16 -42.52 6.67 Favored 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -173.173 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 74.4 66.04 0.08 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 156.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.12 -11.9 31.75 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 124.015 0.926 . . . . 0.0 112.891 154.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.41 27.7 1.43 Allowed Glycine 0 CA--C 1.571 3.564 0 O-C-N 120.723 -1.236 . . . . 0.0 115.07 166.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.4 m-30 -116.45 164.06 15.13 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.349 -1.089 . . . . 0.0 111.643 166.673 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.907 HG23 ' CD ' ' A' ' 26' ' ' GLU . 1.3 mt -104.69 129.52 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.029 -1.044 . . . . 0.0 110.236 156.348 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -109.18 167.69 9.92 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.044 -1.035 . . . . 0.0 112.717 175.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.519 ' O ' HD12 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -72.68 -9.67 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 C-N-CA 123.885 0.874 . . . . 0.0 110.483 176.75 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.03 -41.12 23.14 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.519 -1.363 . . . . 0.0 113.564 170.061 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.907 ' CD ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -72.92 -43.59 62.21 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 179.79 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.6 tt -68.11 -44.01 77.15 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.224 -0.923 . . . . 0.0 111.877 -161.813 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.96 -54.72 17.39 Favored Glycine 0 CA--C 1.571 3.576 0 O-C-N 121.2 -0.938 . . . . 0.0 115.168 166.608 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -51.75 -41.63 61.73 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.303 -1.116 . . . . 0.0 113.87 178.154 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 30.7 mm -60.57 -63.67 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.253 -0.904 . . . . 0.0 110.217 173.484 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.2 -5.86 0.54 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.131 -0.981 . . . . 0.0 111.608 -178.01 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.14 -75.9 0.58 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.202 -0.936 . . . . 0.0 110.792 165.372 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.53 -152.83 0.18 Allowed 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -160.096 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -71.45 147.83 47.46 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.236 -0.915 . . . . 0.0 109.792 -179.46 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' O ' HG23 ' A' ' 34' ' ' THR . . . -80.75 -148.49 5.73 Favored Glycine 0 CA--C 1.571 3.557 0 O-C-N 121.224 -0.923 . . . . 0.0 115.114 163.567 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.413 0 O-C-N 121.202 -1.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.97 86.89 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 23.0 p -96.72 165.09 12.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.236 -0.915 . . . . 0.0 109.751 -178.594 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mp0 -60.87 -53.58 55.53 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -167.425 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -59.09 -27.49 65.6 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -171.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -72.65 -46.46 53.88 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.228 -0.92 . . . . 0.0 112.699 171.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 4.1 mm -61.56 -32.3 53.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.203 -0.936 . . . . 0.0 110.219 174.274 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -38.2 86.62 Favored 'General case' 0 N--CA 1.497 1.875 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 171.793 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -68.26 -29.39 68.18 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.359 -0.838 . . . . 0.0 112.665 170.559 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.0 -51.88 49.54 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 172.059 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.464 ' HG2' HG12 ' A' ' 24' ' ' ILE . 12.8 tpt -67.48 -36.22 80.69 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.895 -1.128 . . . . 0.0 112.024 -175.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -83.15 -31.26 27.28 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.271 -0.893 . . . . 0.0 109.932 -177.598 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.27 -41.89 84.77 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.23 -0.919 . . . . 0.0 112.483 171.284 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 25.7 m -62.95 -32.19 73.46 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.255 -0.903 . . . . 0.0 112.893 167.641 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -69.01 151.25 46.73 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.248 -0.908 . . . . 0.0 112.647 -177.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.7 -84.22 0.66 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.958 -1.089 . . . . 0.0 110.26 175.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -78.71 18.56 0.58 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -172.486 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 10.5 m120 72.18 36.5 1.09 Allowed 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.808 1.243 . . . . 0.0 113.162 169.639 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.11 74.58 1.75 Allowed 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 124.159 0.984 . . . . 0.0 112.706 154.367 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -39.15 -22.43 0.02 OUTLIER Glycine 0 CA--C 1.572 3.607 0 O-C-N 121.142 -0.974 . . . . 0.0 115.138 167.593 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -125.72 151.38 46.71 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.217 -1.166 . . . . 0.0 113.949 175.755 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.951 HG23 ' HB2' ' B' ' 62' ' ' GLU . 56.6 mt -112.41 148.0 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.223 -0.923 . . . . 0.0 110.518 -167.246 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 50.3 p30 -121.12 -169.11 1.78 Allowed 'General case' 0 N--CA 1.498 1.93 0 C-N-CA 124.225 1.01 . . . . 0.0 112.794 171.608 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.86 -42.24 97.58 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.841 -1.162 . . . . 0.0 112.237 -173.409 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.74 -78.49 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.704 0 O-C-N 120.738 -1.226 . . . . 0.0 113.623 167.287 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.951 ' HB2' HG23 ' B' ' 58' ' ' ILE . 3.8 mm-40 -33.25 -40.84 0.07 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 171.479 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.742 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 2.3 t80 -57.19 -50.76 71.85 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.818 -1.177 . . . . 0.0 112.067 176.653 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.671 ' CD2' HD12 ' A' ' 7' ' ' LEU . 58.6 mt -65.1 -22.89 67.01 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.293 -0.879 . . . . 0.0 111.755 179.924 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -87.36 -40.09 14.73 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.109 -0.994 . . . . 0.0 109.359 178.116 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -21.67 28.5 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 167.243 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.18 -82.47 0.15 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.196 -0.94 . . . . 0.0 110.553 162.23 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.98 -31.28 64.42 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -165.521 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -107.53 36.8 4.16 Favored Glycine 0 CA--C 1.571 3.555 0 O-C-N 121.269 -0.894 . . . . 0.0 115.16 -167.417 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.2 p -113.96 25.69 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.183 -1.187 . . . . 0.0 108.683 176.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.0 -37.64 5.54 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 120.877 -1.14 . . . . 0.0 112.065 -158.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.438 0 O-C-N 121.187 -0.946 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.341 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -71.11 114.47 9.2 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 123.576 0.75 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -156.14 31.8 0.34 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.273 -0.892 . . . . 0.0 112.392 -171.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 3.5 mt-10 -98.06 -25.05 15.07 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.212 -0.93 . . . . 0.0 111.848 179.456 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.6 tt0 -50.39 -46.25 56.01 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -165.113 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.21 -30.75 15.04 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 113.912 1.078 . . . . 0.0 113.912 -168.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.2 mt -72.18 -15.66 61.96 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.162 -0.961 . . . . 0.0 111.755 162.581 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 5' ' ' GLU . . . -72.25 -59.66 2.62 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 164.192 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -40.28 -57.06 1.82 Allowed 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 123.95 0.9 . . . . 0.0 113.238 161.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.6 -41.1 76.45 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 179.324 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.785 ' CD2' ' HD1' ' B' ' 60' ' ' PHE . 16.2 t80 -76.31 -30.02 57.54 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.276 -0.89 . . . . 0.0 112.131 -172.519 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -83.32 -31.24 26.94 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.171 -0.956 . . . . 0.0 112.922 176.647 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mm -71.99 -36.59 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 124.257 1.023 . . . . 0.0 110.244 177.486 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -61.57 -42.44 98.84 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.386 -0.821 . . . . 0.0 110.394 173.175 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -73.07 127.85 33.77 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.2 -0.938 . . . . 0.0 112.824 -173.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -76.4 -44.82 34.41 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.113 -0.992 . . . . 0.0 109.333 178.854 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.78 -23.06 15.11 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -162.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.44 44.05 7.48 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 163.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -78.94 -19.67 51.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.236 -0.915 . . . . 0.0 112.717 154.702 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.17 -22.54 3.98 Favored Glycine 0 CA--C 1.572 3.602 0 N-CA-C 115.534 0.974 . . . . 0.0 115.534 -177.016 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -114.7 162.12 17.24 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.168 -1.195 . . . . 0.0 111.694 -156.464 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.62 ' CD1' ' HE1' ' A' ' 11' ' ' PHE . 64.1 mt -109.95 143.6 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 C-N-CA 124.078 0.951 . . . . 0.0 110.263 168.713 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -102.46 157.89 16.6 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.107 -0.996 . . . . 0.0 112.664 175.036 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.466 HD13 ' CG ' ' B' ' 47' ' ' MET . 0.3 OUTLIER -52.01 -30.46 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.434 -0.792 . . . . 0.0 110.08 177.638 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.17 -30.88 43.71 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -174.52 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -73.46 -27.53 61.46 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 174.376 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD21 HD12 ' B' ' 43' ' ' ILE . 9.7 tt -42.85 -61.97 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.347 -0.846 . . . . 0.0 111.942 177.804 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.16 -30.65 77.25 Favored Glycine 0 CA--C 1.571 3.584 0 O-C-N 121.04 -1.037 . . . . 0.0 115.082 -170.012 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.2 -30.69 49.08 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.267 -1.137 . . . . 0.0 113.895 171.403 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.03 -58.9 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.252 -0.905 . . . . 0.0 110.215 168.491 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.53 -50.2 70.62 Favored 'General case' 0 CA--C 1.575 1.918 0 O-C-N 121.23 -0.919 . . . . 0.0 111.222 176.062 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -84.62 -41.75 16.06 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.236 -0.915 . . . . 0.0 110.851 -159.903 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.53 -89.34 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -156.297 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 34' ' ' THR . 5.0 t -128.49 81.81 2.05 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.158 -0.964 . . . . 0.0 109.784 -165.396 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -159.78 -141.42 3.13 Favored Glycine 0 CA--C 1.572 3.634 0 O-C-N 121.262 -0.899 . . . . 0.0 115.016 156.366 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.432 0 O-C-N 121.211 -1.17 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . 0.43 ' C ' HG12 ' B' ' 38' ' ' VAL . . . . . . . . 0 C--O 1.236 0.347 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.43 HG12 ' C ' ' B' ' 37' ' ' ACE . 1.7 p 56.69 79.15 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 45.5 p -132.86 -141.34 0.2 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.279 -0.888 . . . . 0.0 109.671 -171.237 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.05 -52.09 67.23 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.009 -1.057 . . . . 0.0 113.802 162.666 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -66.51 -36.19 82.11 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -167.388 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.16 -49.33 78.05 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.204 -0.935 . . . . 0.0 112.656 167.204 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 27' ' ' LEU . 4.0 mm -64.28 -34.25 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.197 -0.94 . . . . 0.0 110.275 179.391 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -39.94 91.92 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 174.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -63.3 -35.36 80.09 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.335 -0.853 . . . . 0.0 112.641 169.528 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.7 tt -70.55 -53.76 14.8 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -178.162 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.517 ' HE1' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -96.78 14.99 23.25 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.852 -1.155 . . . . 0.0 112.107 -174.037 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -112.14 -30.09 7.35 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.254 -0.904 . . . . 0.0 110.138 163.315 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -67.45 -63.73 1.0 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.867 -1.146 . . . . 0.0 112.459 166.135 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 58.1 m -67.34 -29.47 69.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.121 -0.987 . . . . 0.0 112.882 -178.2 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -82.67 72.34 9.74 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.153 -0.967 . . . . 0.0 112.709 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -67.15 0.56 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -167.562 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.32 9.02 3.46 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -159.43 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 59.37 51.11 6.97 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.036 -1.04 . . . . 0.0 113.303 -169.464 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 67.55 2.1 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.055 0.942 . . . . 0.0 112.668 154.513 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.66 -17.98 1.55 Allowed Glycine 0 CA--C 1.571 3.557 0 O-C-N 121.197 -0.939 . . . . 0.0 115.206 -168.062 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -104.35 138.99 39.97 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.113 -1.228 . . . . 0.0 113.849 171.512 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.636 HG23 ' CB ' ' B' ' 62' ' ' GLU . 69.8 mt -109.26 141.76 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.078 -1.014 . . . . 0.0 110.207 -160.69 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 p30 -110.06 -174.38 2.48 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.012 -1.055 . . . . 0.0 112.85 -178.665 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.785 ' HD1' ' CD2' ' A' ' 11' ' ' PHE . 61.7 t80 -65.0 -42.65 94.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.983 -1.073 . . . . 0.0 112.068 -172.221 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.95 -79.19 0.02 OUTLIER 'General case' 0 CA--C 1.569 1.678 0 O-C-N 120.678 -1.264 . . . . 0.0 113.605 163.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.636 ' CB ' HG23 ' B' ' 58' ' ' ILE . 37.5 mt-10 -35.59 -34.19 0.04 OUTLIER 'General case' 0 CA--C 1.573 1.836 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 172.6 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 11' ' ' PHE . 1.9 t80 -58.69 -49.3 78.06 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 120.516 -1.365 . . . . 0.0 111.817 174.268 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.13 -28.15 68.9 Favored 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 123.836 0.854 . . . . 0.0 111.866 -179.868 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.604 ' HG3' ' O ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -82.68 -37.7 24.45 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.063 -1.023 . . . . 0.0 109.32 174.127 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -59.73 -66.69 0.47 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 174.728 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 1.2 tpt -48.65 -67.94 0.23 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.219 -0.926 . . . . 0.0 110.578 168.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -136.01 54.7 1.89 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -162.798 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.77 35.04 2.32 Favored Glycine 0 CA--C 1.571 3.587 0 O-C-N 121.142 -0.974 . . . . 0.0 115.105 155.512 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -99.42 118.02 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.215 -1.168 . . . . 0.0 108.465 -174.708 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -83.12 120.07 25.3 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.247 -0.908 . . . . 0.0 111.898 170.573 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.444 0 O-C-N 121.09 -1.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.1 -166.06 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.508 -0.745 . . . . 0.0 109.932 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -159.26 32.79 0.2 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.289 -0.882 . . . . 0.0 112.418 -170.5 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.256 0.6 OUTLIER -122.66 -33.26 3.43 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.263 -0.898 . . . . 0.0 112.261 -163.803 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.75 -52.12 4.0 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -169.383 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -83.5 -21.86 32.68 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -168.421 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.647 HD12 HD23 ' B' ' 64' ' ' LEU . 0.7 OUTLIER -85.58 -21.38 28.53 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 124.383 1.073 . . . . 0.0 111.788 172.548 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.835 ' HB2' ' CE2' ' B' ' 60' ' ' PHE . . . -78.63 -52.73 8.03 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 167.355 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -39.33 -49.21 1.96 Allowed 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.223 -0.923 . . . . 0.0 113.181 161.368 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.93 82.49 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 171.918 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.919 ' CZ ' HD13 ' A' ' 22' ' ' ILE . 29.5 t80 -75.3 -26.98 59.14 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.367 -0.833 . . . . 0.0 112.028 -174.15 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -6.32 39.29 Favored 'General case' 0 N--CA 1.497 1.886 0 C-N-CA 123.928 0.891 . . . . 0.0 113.049 172.847 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.4 mm -79.73 -31.77 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 C-N-CA 124.26 1.024 . . . . 0.0 110.203 167.222 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.796 ' HD2' HD13 ' A' ' 30' ' ' ILE . 2.8 m-30 -62.59 -70.68 0.19 Allowed 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 123.999 0.92 . . . . 0.0 110.491 170.238 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -62.44 118.57 7.7 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.148 -0.97 . . . . 0.0 112.782 -165.253 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.567 ' HG3' ' OE2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -54.79 -32.84 60.71 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.013 -1.054 . . . . 0.0 109.185 -169.184 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -107.81 -32.79 7.47 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -167.907 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 68.14 47.19 1.05 Allowed 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -171.18 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.85 6.52 4.95 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.214 -0.929 . . . . 0.0 112.852 154.422 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.449 ' O ' ' HE1' ' A' ' 11' ' ' PHE . . . 98.42 -8.7 62.45 Favored Glycine 0 CA--C 1.571 3.543 0 O-C-N 120.565 -1.335 . . . . 0.0 115.304 162.639 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.779 ' HD2' ' HD3' ' B' ' 57' ' ' ARG . 6.8 m-30 -122.68 170.08 10.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.137 -1.214 . . . . 0.0 111.752 -173.681 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.919 HD13 ' CZ ' ' A' ' 11' ' ' PHE . 0.3 OUTLIER -109.02 151.9 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 124.46 1.104 . . . . 0.0 110.254 163.397 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -127.28 166.03 18.55 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.013 -1.054 . . . . 0.0 112.715 -175.818 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 tt -68.13 -29.64 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.211 -0.931 . . . . 0.0 110.177 -175.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -76.8 -30.8 56.6 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -179.463 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.567 ' OE2' ' HG3' ' A' ' 16' ' ' LYS . 93.5 mt-10 -78.2 -29.22 48.29 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 172.874 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -53.46 -55.45 25.17 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 124.305 1.042 . . . . 0.0 111.974 -169.022 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.62 -48.06 17.51 Favored Glycine 0 CA--C 1.571 3.588 0 O-C-N 121.141 -0.974 . . . . 0.0 115.135 174.042 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.9 OUTLIER -77.48 -19.42 55.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.232 -1.158 . . . . 0.0 113.879 179.151 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.796 HD13 ' HD2' ' A' ' 14' ' ' PHE . 16.4 mt -60.96 -49.04 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 166.657 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.601 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -54.96 -41.52 71.24 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.169 -0.957 . . . . 0.0 111.339 168.606 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 29' ' ' GLU . 8.1 ptm180 -127.55 41.23 3.55 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.407 -0.808 . . . . 0.0 110.798 -170.738 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.6 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . -45.79 135.21 7.12 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 169.934 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 p -93.86 -179.09 4.87 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.17 -0.956 . . . . 0.0 109.682 -171.566 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.54 34.07 0.07 OUTLIER Glycine 0 CA--C 1.571 3.566 0 O-C-N 121.26 -0.9 . . . . 0.0 115.086 167.762 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.409 0 O-C-N 121.181 -1.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.331 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.95 87.06 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.6 179.09 4.8 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.221 -0.924 . . . . 0.0 109.745 -168.268 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.88 -41.48 91.5 Favored 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 171.014 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.62 -28.81 68.05 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -168.506 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.55 -46.93 87.85 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.215 -0.928 . . . . 0.0 112.68 164.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -58.97 -53.63 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 O-C-N 121.265 -0.897 . . . . 0.0 110.166 -176.009 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -31.37 70.37 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 178.341 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -57.58 -35.48 70.44 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.241 -0.912 . . . . 0.0 112.663 162.937 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 9.8 tp -76.52 -50.69 13.32 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 177.279 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . 0.405 ' CE ' HG13 ' B' ' 58' ' ' ILE . 0.0 OUTLIER -59.56 -28.48 67.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.88 -1.138 . . . . 0.0 112.075 173.651 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -92.15 -9.96 40.55 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.352 -0.842 . . . . 0.0 110.606 178.273 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.05 -51.58 52.9 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.199 -1.563 . . . . 0.0 112.409 157.931 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 38.9 m -100.56 -27.04 13.62 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.114 -0.992 . . . . 0.0 112.898 -157.246 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -58.27 120.61 9.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.259 -0.9 . . . . 0.0 112.706 166.152 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.04 -1.038 . . . . 0.0 109.939 165.086 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -64.46 -7.38 9.76 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.148 -0.97 . . . . 0.0 113.248 -163.31 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.79 41.79 24.43 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.241 -0.912 . . . . 0.0 113.276 164.123 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -89.5 -22.53 22.4 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.284 -0.885 . . . . 0.0 112.723 159.59 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . 93.75 39.41 4.96 Favored Glycine 0 CA--C 1.572 3.624 0 O-C-N 121.064 -1.022 . . . . 0.0 115.111 169.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.779 ' HD3' ' HD2' ' A' ' 21' ' ' TYR . 13.4 ttm-85 -130.55 129.77 43.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.269 -1.136 . . . . 0.0 113.77 164.012 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.879 HG23 ' HB2' ' B' ' 62' ' ' GLU . 67.0 mt -100.25 122.6 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 C-N-CA 124.215 1.006 . . . . 0.0 110.157 -173.695 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -102.32 174.44 5.91 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.932 -1.105 . . . . 0.0 112.749 171.775 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.835 ' CE2' ' HB2' ' A' ' 8' ' ' ALA . 0.9 OUTLIER -52.32 -33.33 42.06 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.923 -1.11 . . . . 0.0 112.132 -166.513 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.02 -83.96 0.01 OUTLIER 'General case' 0 CA--C 1.581 2.159 0 CA-C-O 124.812 2.244 . . . . 0.0 111.433 171.464 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.879 ' HB2' HG23 ' B' ' 58' ' ' ILE . 14.3 mm-40 -23.81 -40.17 0.01 OUTLIER 'General case' 0 CA--C 1.569 1.709 0 CA-C-N 113.823 -1.535 . . . . 0.0 113.7 165.733 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.707 ' CD2' ' HD2' ' A' ' 11' ' ' PHE . 14.2 t80 -61.03 -50.57 72.78 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.495 -0.753 . . . . 0.0 111.782 177.884 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.647 HD23 HD12 ' A' ' 7' ' ' LEU . 17.0 mt -57.63 -29.86 64.9 Favored 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 124.403 1.081 . . . . 0.0 111.904 175.853 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.32 -47.54 13.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.079 -1.013 . . . . 0.0 109.392 -178.31 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.526 ' O ' ' HG2' ' B' ' 66' ' ' MET . 3.1 tmm? -75.53 -4.7 41.36 Favored 'General case' 0 N--CA 1.497 1.912 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -179.79 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.19 -41.0 5.46 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.217 -0.927 . . . . 0.0 110.557 168.525 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -147.12 21.59 1.22 Allowed 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -162.163 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -88.47 -126.06 2.53 Favored Glycine 0 CA--C 1.572 3.636 0 O-C-N 121.274 -0.891 . . . . 0.0 115.145 170.338 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.88 166.31 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.222 -1.163 . . . . 0.0 108.468 -163.025 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -92.67 142.44 27.37 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.257 -0.902 . . . . 0.0 111.968 164.426 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.383 0 O-C-N 121.201 -0.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.35 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -158.08 40.99 0.27 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.454 -0.779 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -113.89 -27.97 7.56 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.288 -0.883 . . . . 0.0 112.356 168.855 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.258 0.0 OUTLIER -55.67 -7.52 0.29 Allowed 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.231 -0.918 . . . . 0.0 111.847 175.187 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -36.06 -63.66 0.36 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 170.904 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -72.26 -32.85 67.02 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' B' ' 64' ' ' LEU . 5.7 mp -73.23 -19.92 60.97 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 124.137 0.975 . . . . 0.0 111.773 171.129 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.53 ' CA ' ' HE2' ' B' ' 60' ' ' PHE . . . -81.6 -44.12 17.69 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 174.164 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -61.99 -39.71 93.14 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.12 -0.988 . . . . 0.0 113.225 164.385 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.71 74.78 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 165.456 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.571 ' HD2' ' CG ' ' B' ' 63' ' ' PHE . 45.5 t80 -74.45 -28.29 60.97 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.045 -1.034 . . . . 0.0 112.041 -170.477 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 13' ' ' ILE . 8.2 ptt180 -73.23 -40.77 64.41 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 124.018 0.927 . . . . 0.0 112.981 165.782 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 1.2 mm -64.25 -37.27 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.18 -0.95 . . . . 0.0 110.348 -173.297 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -57.35 -62.47 1.75 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.294 -0.879 . . . . 0.0 110.367 172.132 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -75.33 138.02 41.51 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.174 -0.954 . . . . 0.0 112.851 -160.392 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -80.58 0.08 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.152 -0.968 . . . . 0.0 109.367 -174.436 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 0.9 OUTLIER -75.12 -35.15 61.73 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -162.538 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 17' ' ' ASN . . . 82.82 57.15 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 154.355 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -87.51 20.07 3.06 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 123.929 0.891 . . . . 0.0 112.736 154.549 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.87 -5.56 58.16 Favored Glycine 0 CA--C 1.572 3.595 0 O-C-N 121.095 -1.003 . . . . 0.0 115.37 163.194 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -117.49 153.42 33.18 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.12 -1.224 . . . . 0.0 111.694 -169.138 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.9 mt -114.09 113.03 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.151 -0.968 . . . . 0.0 110.259 174.543 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -103.28 170.61 7.85 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.958 -1.089 . . . . 0.0 112.726 -160.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.28 -27.57 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.241 -0.912 . . . . 0.0 110.193 -178.58 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.92 -38.13 46.21 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.75 ' O ' HD13 ' A' ' 30' ' ' ILE . 15.1 mt-10 -80.78 -27.36 36.71 Favored 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 -177.225 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.947 HD23 HG23 ' B' ' 43' ' ' ILE . 12.0 tp -48.63 -60.67 2.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.287 -0.883 . . . . 0.0 111.929 177.771 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.71 -24.55 60.08 Favored Glycine 0 CA--C 1.572 3.613 0 O-C-N 121.141 -0.974 . . . . 0.0 115.096 174.843 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.53 ' O ' ' N ' ' A' ' 33' ' ' ALA . 1.0 OUTLIER -66.24 -46.27 77.73 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.262 -1.14 . . . . 0.0 113.872 164.109 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.75 HD13 ' O ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -53.85 -54.38 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.238 -0.914 . . . . 0.0 110.208 177.747 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.755 HD12 ' HB2' ' A' ' 32' ' ' ARG . 3.2 pp -70.05 -33.16 71.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.142 -0.974 . . . . 0.0 111.757 175.796 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.755 ' HB2' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -123.68 47.98 1.94 Allowed 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.149 -0.97 . . . . 0.0 110.781 -176.668 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' GLU . . . -83.78 -61.88 1.71 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 161.637 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.99 -74.48 0.57 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.212 -0.93 . . . . 0.0 109.791 -166.767 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -119.17 42.57 1.75 Allowed Glycine 0 CA--C 1.571 3.58 0 O-C-N 121.257 -0.902 . . . . 0.0 115.137 -168.779 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 0.417 0 O-C-N 121.231 -1.158 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 37' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.349 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.473 HG13 ' HB2' ' B' ' 42' ' ' ASP . 1.2 t 173.55 139.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.5 t -62.94 165.44 6.83 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.254 -0.904 . . . . 0.0 109.779 -165.136 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -65.45 -19.13 65.81 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.877 1.065 . . . . 0.0 113.877 161.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' B' ' 44' ' ' GLU . 11.5 mt-10 -66.07 -19.56 65.89 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 168.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.473 ' HB2' HG13 ' B' ' 38' ' ' VAL . 39.6 m-20 -88.57 -36.35 16.39 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.249 -0.907 . . . . 0.0 112.666 171.989 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.947 HG23 HD23 ' A' ' 27' ' ' LEU . 1.8 mp -59.52 -34.99 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.125 -0.984 . . . . 0.0 110.166 161.788 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.441 ' HB2' ' HA ' ' B' ' 41' ' ' GLU . 0.3 OUTLIER -69.91 -33.44 72.18 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.54 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -62.89 -53.82 48.14 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.164 -0.96 . . . . 0.0 112.639 170.486 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 tp -52.05 -53.29 43.88 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.111 -0.993 . . . . 0.0 113.677 174.336 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 47' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -1.69 54.6 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.706 -1.246 . . . . 0.0 112.144 -161.241 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -102.93 -18.41 15.05 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.176 -0.953 . . . . 0.0 110.475 164.531 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -66.99 -79.76 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.461 -1.4 . . . . 0.0 112.42 158.142 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 1.7 m -61.51 -20.46 63.23 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.146 -0.971 . . . . 0.0 112.849 -170.837 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -69.63 131.21 44.27 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.247 -0.908 . . . . 0.0 112.64 162.162 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.73 -74.18 0.66 Allowed 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.084 -1.01 . . . . 0.0 109.936 176.752 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . 0.406 HD21 ' HB3' ' B' ' 55' ' ' ASP . 2.2 p-10 -76.31 1.56 15.8 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.985 -1.072 . . . . 0.0 113.57 -171.212 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 5.8 m120 61.07 41.0 14.38 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.983 -1.073 . . . . 0.0 113.266 -179.224 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.406 ' HB3' HD21 ' B' ' 53' ' ' ASN . 4.9 p-10 -86.67 63.9 8.22 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.259 -0.9 . . . . 0.0 112.691 154.551 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 56' ' ' GLY . . . . . . . . . . . . . . . -44.42 -32.86 2.88 Favored Glycine 0 CA--C 1.571 3.593 0 O-C-N 121.295 -0.878 . . . . 0.0 115.237 -162.216 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.14 123.17 28.73 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.205 -1.174 . . . . 0.0 113.881 -177.348 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . 0.892 HG23 ' HB2' ' B' ' 62' ' ' GLU . 68.9 mt -99.91 134.15 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.1 -1.0 . . . . 0.0 110.148 -159.686 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -104.87 -169.61 1.64 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.114 -0.992 . . . . 0.0 112.79 167.844 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.53 ' HE2' ' CA ' ' A' ' 8' ' ' ALA . 6.2 t80 -71.24 -37.67 71.99 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.877 -1.139 . . . . 0.0 112.233 -166.326 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.568 1.672 0 O-C-N 120.725 -1.235 . . . . 0.0 113.741 164.808 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.892 ' HB2' HG23 ' B' ' 58' ' ' ILE . 9.7 mm-40 -35.05 -39.04 0.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 167.714 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 63' ' ' PHE . . . . . 0.571 ' CG ' ' HD2' ' A' ' 11' ' ' PHE . 27.4 t80 -59.07 -41.59 88.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.697 -1.252 . . . . 0.0 111.996 177.463 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.726 ' CD2' HD22 ' A' ' 7' ' ' LEU . 44.9 mt -70.2 -31.91 69.58 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 123.928 0.891 . . . . 0.0 111.755 178.885 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -87.7 -12.32 45.68 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.134 -0.979 . . . . 0.0 109.362 177.294 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 66' ' ' MET . . . . . 0.782 ' HE2' HD13 ' B' ' 58' ' ' ILE . 2.1 ttp -86.89 -62.45 1.5 Allowed 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 172.479 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 67' ' ' MET . . . . . . . . . . . . . 9.6 ttm -39.2 -33.36 0.13 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.232 -0.917 . . . . 0.0 110.538 161.432 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -86.33 -102.22 0.07 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 170.077 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . 103.43 134.37 8.25 Favored Glycine 0 CA--C 1.572 3.598 0 O-C-N 121.144 -0.972 . . . . 0.0 115.069 -178.179 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.592 HG13 ' N ' ' B' ' 71' ' ' GLN . 0.4 OUTLIER -92.82 -170.86 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.221 -1.164 . . . . 0.0 108.552 -166.291 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.592 ' N ' HG13 ' B' ' 70' ' ' VAL . 13.8 pt20 -154.51 19.91 0.47 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.197 -0.939 . . . . 0.0 112.018 171.287 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' B' B ' 72' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.385 0 O-C-N 121.288 -0.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_