data_2l14_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 2l14 _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 2063 ' ' ILE . . . . . . . . . . . . . 46.1 pt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.8 m -133.99 142.34 43.02 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 124.252 1.021 . . . . 0.0 112.093 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.6 -15.22 37.57 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.602 2.868 . . . . 0.0 113.63 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 23.4 p -61.25 -35.65 77.84 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.112 -0.992 . . . . 0.0 112.681 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.85 75.21 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.961 0.904 . . . . 0.0 112.4 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.62 -40.47 88.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 0.0 110.222 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -70.04 -37.54 75.6 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.815 -0.553 . . . . 0.0 110.954 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.02 -37.77 88.72 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.485 0.66 . . . . 0.0 110.814 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.99 -46.32 91.24 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.932 -1.105 . . . . 0.0 109.829 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.57 -44.79 96.38 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.88 0.764 . . . . 0.0 112.583 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -65.01 -33.82 76.97 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.466 1.03 . . . . 0.0 111.801 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 81.4 m -70.92 -43.01 69.15 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.732 1.213 . . . . 0.0 111.421 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.68 -41.64 81.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.307 1.443 . . . . 0.0 112.421 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -68.8 -13.5 62.44 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -67.4 156.34 88.72 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 119.361 0.982 . . . . 0.0 112.349 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.6 158.59 57.11 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.714 2.276 . . . . 0.0 111.826 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.8 m -55.87 117.79 4.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.409 1.484 . . . . 0.0 113.435 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.7 p -161.26 156.39 20.54 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 124.716 1.206 . . . . 0.0 112.319 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.49 -23.98 57.08 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.108 1.872 . . . . 0.0 112.094 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -65.05 -35.8 82.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.144 0.978 . . . . 0.0 111.145 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.6 -44.93 96.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.576 0.75 . . . . 0.0 110.837 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.51 -46.52 88.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.618 0.767 . . . . 0.0 110.679 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -60.13 -44.32 95.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.776 0.431 . . . . 0.0 111.589 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.65 -41.49 99.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.073 0.852 . . . . 0.0 112.813 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.9 t -60.25 -45.93 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.475 1.034 . . . . 0.0 110.02 175.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.61 -44.51 96.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.213 0.605 . . . . 0.0 111.465 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.03 -47.79 82.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.897 0.879 . . . . 0.0 111.378 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -47.47 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.828 1.251 . . . . 0.0 111.051 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.43 -43.2 91.2 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -58.55 -23.83 59.33 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 20.6 t -72.08 -20.96 61.57 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.99 . . . . 0.0 112.923 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.12 67.21 77.02 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 126.541 1.936 . . . . 0.0 112.591 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.42 -37.2 19.13 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 124.749 3.633 . . . . 0.0 116.036 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -44.26 -55.67 4.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.915 1.686 . . . . 0.0 113.929 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.78 -34.19 24.83 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 5.5 ptm -71.94 -34.45 69.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.313 0.961 . . . . 0.0 113.239 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.64 79.04 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.449 0.7 . . . . 0.0 111.005 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.39 92.12 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.713 -0.617 . . . . 0.0 110.674 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.51 -53.05 58.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.522 1.129 . . . . 0.0 112.347 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -44.26 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.452 1.024 . . . . 0.0 110.748 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.52 -39.36 79.91 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.286 -0.884 . . . . 0.0 112.012 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -70.97 -40.35 71.98 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.41 -0.806 . . . . 0.0 111.704 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -69.8 -42.36 73.84 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.869 1.268 . . . . 0.0 114.304 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.8 t -57.98 -33.78 69.26 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.879 1.218 . . . . 0.0 112.852 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.75 -11.28 60.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.966 1.306 . . . . 0.0 114.342 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 N--CA 1.482 1.129 0 C-N-CA 127.17 2.188 . . . . 0.0 113.47 -176.821 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.2 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -44.26 -37.87 3.49 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.942 1.697 . . . . 0.0 115.315 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -58.59 -26.96 64.19 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.17 -26.44 14.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.055 0.942 . . . . 0.0 111.244 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.81 -30.88 71.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.941 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -57.35 -38.99 75.02 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.858 1.208 . . . . 0.0 111.954 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.73 -30.49 71.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.08 1.352 . . . . 0.0 113.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 124.529 1.132 . . . . 0.0 113.886 -179.815 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 120.849 0.356 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 133.22 19.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.6 1.56 . . . . 0.0 110.207 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 164.55 3.62 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 69.0 m -125.85 151.83 71.73 Favored Pre-proline 0 N--CA 1.473 0.68 0 C-N-CA 126.845 2.058 . . . . 0.0 110.792 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -61.98 -22.28 73.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.326 2.684 . . . . 0.0 115.019 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.55 -31.49 68.02 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.07 0.948 . . . . 0.0 112.924 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.26 -28.39 27.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 111.988 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.4 mt -73.21 -35.21 46.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 109.884 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.47 -1.31 26.57 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.25 -1.531 . . . . 0.0 113.431 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -46.52 13.05 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.883 -1.135 . . . . 0.0 113.527 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -22.71 61.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -16.81 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.583 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 31.5 pt . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.76 0.314 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.8 m -125.03 140.08 35.09 Favored Pre-proline 0 N--CA 1.473 0.725 0 C-N-CA 125.541 1.536 . . . . 0.0 109.98 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.82 -22.1 49.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.409 2.739 . . . . 0.0 114.223 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 30.5 p -59.5 -35.64 74.52 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.65 86.58 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.68 0.792 . . . . 0.0 112.074 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.01 -47.18 72.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.279 1.032 . . . . 0.0 109.516 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -61.58 -39.46 91.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.071 -0.393 . . . . 0.0 111.575 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.86 -35.18 78.08 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.717 -0.614 . . . . 0.0 112.069 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.19 -49.09 71.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.99 -37.46 74.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.014 0.926 . . . . 0.0 113.404 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -74.69 -31.29 61.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.979 1.263 . . . . 0.0 112.196 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.5 m -73.09 -45.3 57.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.689 1.196 . . . . 0.0 111.674 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.34 -36.26 73.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.984 1.714 . . . . 0.0 114.397 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -67.72 -19.64 65.17 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 74.3 m -78.86 163.01 62.78 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 119.128 0.876 . . . . 0.0 112.108 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.09 146.12 18.19 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.1 3.2 . . . . 0.0 114.383 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.4 p -72.49 135.39 45.67 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 112.957 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 75.7 p -164.77 159.09 15.13 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.708 1.603 . . . . 0.0 110.754 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.25 -33.43 90.94 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.571 2.181 . . . . 0.0 111.732 174.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -68.08 -43.01 79.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.471 1.108 . . . . 0.0 111.369 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -67.29 -40.25 86.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.562 -0.711 . . . . 0.0 111.19 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -58.39 -48.72 79.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.714 1.206 . . . . 0.0 109.579 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.35 -38.76 88.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.66 0.784 . . . . 0.0 111.785 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.79 -44.77 96.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.795 1.18 . . . . 0.0 112.014 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 91.6 t -64.12 -41.1 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.861 0.755 . . . . 0.0 110.178 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.59 -37.86 82.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.968 0.804 . . . . 0.0 111.298 174.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -62.06 -46.32 89.65 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.979 1.263 . . . . 0.0 110.593 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.59 -45.62 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.16 1.384 . . . . 0.0 110.608 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.65 -44.05 78.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.497 1.119 . . . . 0.0 112.52 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.83 -22.42 66.91 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.493 1.042 . . . . 0.0 112.922 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 8.9 t -84.0 -14.46 50.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.031 1.332 . . . . 0.0 112.093 174.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -137.08 58.4 17.94 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 127.215 2.206 . . . . 0.0 109.595 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.07 -14.37 44.84 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.178 2.586 . . . . 0.0 117.004 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -56.16 -44.39 79.25 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.47 1.486 . . . . 0.0 112.753 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 1.5 pp -80.97 -27.26 36.06 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.3 ttp -80.04 -45.83 17.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.658 0.783 . . . . 0.0 112.239 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.71 88.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 111.471 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.28 91.09 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.922 -0.486 . . . . 0.0 111.047 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.7 -52.9 62.41 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.982 0.913 . . . . 0.0 111.432 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.4 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.272 0.942 . . . . 0.0 112.793 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -55.5 -27.8 50.74 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.729 1.149 . . . . 0.0 113.024 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.77 -46.6 6.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.421 1.088 . . . . 0.0 111.367 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.97 67.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.364 1.466 . . . . 0.0 114.125 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 13.1 t -59.9 -34.32 73.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.831 1.252 . . . . 0.0 112.203 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.07 -11.0 58.24 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.442 1.097 . . . . 0.0 113.772 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 127.176 2.191 . . . . 0.0 112.867 -179.121 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.7 p . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -44.85 -43.23 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.9 p -66.55 -32.84 74.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.178 0.991 . . . . 0.0 113.67 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -80.09 -26.78 39.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.232 1.413 . . . . 0.0 112.444 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.29 -33.9 77.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.188 0.595 . . . . 0.0 111.522 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -59.51 -33.99 72.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.792 0.723 . . . . 0.0 112.721 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -66.59 -35.62 80.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.515 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 124.35 1.06 . . . . 0.0 112.786 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 32.3 tpp -146.42 149.03 32.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.728 1.211 . . . . 0.0 110.858 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.83 150.61 23.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.481 1.512 . . . . 0.0 113.311 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.2 m -125.93 167.37 17.05 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 127.266 2.226 . . . . 0.0 110.554 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -54.75 -26.68 48.5 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.251 1.967 . . . . 0.0 113.457 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.59 -34.93 69.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.325 1.45 . . . . 0.0 112.89 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -75.0 -28.68 60.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.573 1.149 . . . . 0.0 112.079 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.28 -45.31 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.32 1.448 . . . . 0.0 111.107 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.44 -3.54 11.69 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.87 -1.144 . . . . 0.0 113.003 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -46.28 16.53 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.098 1.359 . . . . 0.0 114.42 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -27.19 63.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -174.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -14.73 33.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 111.107 0.039 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 32.3 t -150.17 139.03 12.78 Favored Pre-proline 0 N--CA 1.474 0.751 0 O-C-N 121.484 -0.76 . . . . 0.0 112.481 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -65.67 -21.92 58.32 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.631 2.887 . . . . 0.0 113.69 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.2 p -63.62 -32.83 74.43 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.658 1.117 . . . . 0.0 112.519 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.8 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.078 0.951 . . . . 0.0 112.453 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.14 -36.73 80.14 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 110.222 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.46 -41.4 69.47 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.68 -0.637 . . . . 0.0 110.608 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.0 -32.94 74.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.577 1.151 . . . . 0.0 111.683 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.28 -49.89 73.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.632 1.173 . . . . 0.0 109.998 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.06 -44.64 94.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.907 -0.495 . . . . 0.0 111.901 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -65.73 -30.85 71.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.417 1.008 . . . . 0.0 112.171 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 94.4 m -68.49 -43.66 76.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.993 0.917 . . . . 0.0 110.311 174.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.44 -42.9 78.89 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.56 1.073 . . . . 0.0 111.59 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.07 -18.48 60.8 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 67.3 m -71.57 158.07 88.62 Favored Pre-proline 0 N--CA 1.476 0.868 0 C-N-CA 124.019 0.928 . . . . 0.0 112.718 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.5 157.5 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.46 2.107 . . . . 0.0 110.73 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 23.3 t -59.03 122.44 13.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.375 0.67 . . . . 0.0 111.733 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 98.7 p -162.91 158.83 18.9 Favored Pre-proline 0 N--CA 1.472 0.644 0 C-N-CA 125.169 1.388 . . . . 0.0 112.174 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.08 -27.78 73.82 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.911 1.74 . . . . 0.0 111.778 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.01 -43.51 92.27 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.8 0.84 . . . . 0.0 110.861 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.55 -47.37 84.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.582 0.628 . . . . 0.0 110.561 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.43 -44.76 89.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.322 0.649 . . . . 0.0 111.333 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -64.16 -41.65 97.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.433 0.693 . . . . 0.0 111.391 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.02 -41.1 97.71 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.377 0.989 . . . . 0.0 112.624 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 69.2 t -58.94 -47.3 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.126 0.875 . . . . 0.0 109.739 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.81 -44.24 97.14 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.259 0.624 . . . . 0.0 111.509 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -58.12 -50.58 73.01 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.92 0.888 . . . . 0.0 111.579 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.04 -47.47 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.144 1.377 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.0 -51.08 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.418 0.687 . . . . 0.0 111.191 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.04 -21.43 66.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.5 m -78.95 -9.62 59.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.961 0.905 . . . . 0.0 112.366 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -137.76 60.2 23.48 Favored Pre-proline 0 CA--C 1.558 1.26 0 C-N-CA 126.579 1.952 . . . . 0.0 110.873 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.56 -38.5 28.3 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.078 3.186 . . . . 0.0 116.35 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -52.69 -48.07 66.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.534 1.534 . . . . 0.0 113.266 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.69 -27.83 28.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.2 ppp? -79.86 -38.61 32.4 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.559 1.072 . . . . 0.0 113.057 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -69.49 -38.77 77.82 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.443 0.565 . . . . 0.0 112.045 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.42 75.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.478 0.711 . . . . 0.0 112.084 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 34.9 t80 -76.34 -53.19 8.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.039 1.336 . . . . 0.0 112.758 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -42.13 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.066 -1.021 . . . . 0.0 113.407 -177.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -59.06 -21.1 58.61 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -99.05 -36.51 9.68 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.758 0.708 . . . . 0.0 112.008 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -36.14 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.722 1.209 . . . . 0.0 112.346 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 9.6 t -55.57 -30.85 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.859 1.263 . . . . 0.0 113.524 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.98 -14.57 54.98 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 35.5 mmtp . . . . . 0 N--CA 1.474 0.755 0 C-N-CA 126.669 1.988 . . . . 0.0 113.17 -179.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -52.04 -35.95 48.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.873 1.269 . . . . 0.0 114.415 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -71.77 -37.78 70.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.24 -24.99 51.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.565 0.62 . . . . 0.0 112.529 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.07 -37.64 69.57 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.82 -0.61 . . . . 0.0 110.782 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -63.35 -31.15 72.22 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -76.91 -19.53 57.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.6 1.16 . . . . 0.0 113.721 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -176.26 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 111.182 0.067 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 24.7 tpp -159.36 135.79 9.13 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.869 0.867 . . . . 0.0 112.057 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 156.64 17.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.116 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -133.98 162.65 56.4 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 126.568 1.947 . . . . 0.0 110.475 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -57.14 -21.68 44.05 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.605 2.203 . . . . 0.0 113.847 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -57.22 -34.7 68.81 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.682 1.193 . . . . 0.0 112.829 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.44 -28.53 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.728 1.211 . . . . 0.0 112.368 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 27.5 mt -83.54 -38.42 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.543 1.537 . . . . 0.0 111.065 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.35 3.86 3.39 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.771 -1.206 . . . . 0.0 113.229 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -54.5 5.04 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.046 1.339 . . . . 0.0 111.987 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -25.65 59.11 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -177.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -11.33 60.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 118.989 0.813 . . . . 0.0 113.035 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.689 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 29.8 pt . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.531 0.205 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 15.7 m -156.61 149.75 18.63 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 125.228 1.411 . . . . 0.0 111.017 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.61 -28.45 44.82 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.094 2.529 . . . . 0.0 113.703 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.8 p -58.37 -35.61 72.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.957 1.303 . . . . 0.0 113.139 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.56 71.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.873 0.869 . . . . 0.0 113.23 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.61 -36.43 73.5 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.532 -0.73 . . . . 0.0 110.54 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.76 -36.25 78.1 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.797 -0.565 . . . . 0.0 110.977 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.99 -38.68 91.75 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.504 -0.748 . . . . 0.0 111.029 174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.74 -47.51 85.97 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.331 -0.856 . . . . 0.0 109.578 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.69 -48.96 79.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.151 0.58 . . . . 0.0 112.171 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -64.55 -29.79 70.82 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.055 0.843 . . . . 0.0 112.985 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 33.4 m -77.78 -38.25 47.08 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.955 0.902 . . . . 0.0 111.243 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.18 -33.64 75.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.561 1.144 . . . . 0.0 111.692 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.64 -29.42 70.62 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 70.6 m -70.27 154.22 94.66 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.587 1.155 . . . . 0.0 111.863 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.43 150.66 84.21 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.757 2.304 . . . . 0.0 112.515 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 45.1 m -62.51 127.4 31.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.91 1.284 . . . . 0.0 113.369 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 89.3 p -160.74 156.68 22.26 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 126.469 1.908 . . . . 0.0 109.638 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -53.5 -34.66 73.22 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.466 2.11 . . . . 0.0 111.963 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -69.07 -48.55 62.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.276 1.431 . . . . 0.0 111.755 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -62.96 -41.59 99.57 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 0.0 110.893 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.22 -50.7 72.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.866 1.266 . . . . 0.0 109.762 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -59.0 -36.27 74.65 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.848 0.859 . . . . 0.0 112.22 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -62.91 -41.41 99.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.025 1.284 . . . . 0.0 112.202 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 85.3 t -62.5 -42.49 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.732 1.151 . . . . 0.0 109.898 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.77 -40.81 93.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.649 -0.657 . . . . 0.0 111.323 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.07 -44.29 96.22 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.887 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 50.4 mt -61.99 -39.53 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.916 1.287 . . . . 0.0 110.522 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.09 -44.88 68.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.411 -0.806 . . . . 0.0 111.084 175.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -62.38 -22.38 66.08 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.377 1.471 . . . . 0.0 113.756 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 68.1 m -69.21 -17.18 63.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.294 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.16 67.88 4.15 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 127.524 2.33 . . . . 0.0 109.807 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.44 -22.57 59.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.839 3.026 . . . . 0.0 116.043 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -43.9 -47.2 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.531 1.932 . . . . 0.0 114.031 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.25 -38.73 30.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.356 1.062 . . . . 0.0 113.552 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.1 ttp -65.34 -42.81 92.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.551 0.741 . . . . 0.0 112.013 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.92 63.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.836 1.254 . . . . 0.0 114.113 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.45 81.4 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.483 -0.761 . . . . 0.0 112.78 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 10.9 t80 -76.54 -52.67 9.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.009 1.323 . . . . 0.0 112.803 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -38.54 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -53.59 -27.22 25.41 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -97.32 -38.35 9.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.593 0.757 . . . . 0.0 111.472 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -59.44 -37.13 77.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.938 1.295 . . . . 0.0 112.939 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.2 t -54.49 -31.45 55.94 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.702 1.201 . . . . 0.0 113.585 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.89 49.8 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 10.2 tppt? . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 125.118 1.367 . . . . 0.0 114.034 -179.538 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -57.81 -39.78 78.41 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.847 2.459 . . . . 0.0 114.202 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' B' ' 23' ' ' TRP . 68.5 m -65.56 -30.92 71.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.296 1.039 . . . . 0.0 111.908 176.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -72.31 -27.13 62.25 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.08 1.352 . . . . 0.0 112.774 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.44 -37.1 82.49 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.854 -0.529 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' B' ' 20' ' ' SER . 11.0 m95 -60.26 -31.68 70.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.481 0.582 . . . . 0.0 112.241 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.93 -44.12 64.15 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.196 1.399 . . . . 0.0 111.675 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 N--CA 1.47 0.553 0 C-N-CA 125.558 1.543 . . . . 0.0 114.477 -177.551 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 27.0 tpp -154.16 148.92 26.52 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.978 0.911 . . . . 0.0 112.983 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.18 159.56 11.83 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.55 1.54 . . . . 0.0 114.916 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.3 m -122.28 165.72 19.85 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.099 2.56 . . . . 0.0 111.47 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.45 -24.43 61.04 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.44 2.094 . . . . 0.0 114.035 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.83 -35.82 73.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.884 1.273 . . . . 0.0 112.075 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -70.93 -33.27 70.34 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.938 . . . . 0.0 111.588 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -75.36 -43.77 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.847 1.259 . . . . 0.0 111.024 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.48 -7.0 47.63 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.864 -1.148 . . . . 0.0 113.268 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -49.3 9.77 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.786 1.234 . . . . 0.0 113.333 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -24.01 62.15 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -174.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -9.72 50.52 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 57.8 m -84.55 134.79 41.75 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 123.311 0.644 . . . . 0.0 112.212 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.29 -25.83 36.08 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.754 2.303 . . . . 0.0 112.646 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 28.5 p -56.36 -34.05 66.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.453 1.101 . . . . 0.0 112.898 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.5 70.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.629 1.172 . . . . 0.0 112.94 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.5 -49.39 66.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.141 0.977 . . . . 0.0 109.847 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.45 -41.93 96.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.651 0.38 . . . . 0.0 111.394 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.73 -38.64 91.69 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.772 0.829 . . . . 0.0 112.204 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.57 -50.71 68.4 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.108 -0.995 . . . . 0.0 110.003 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.93 -45.26 94.46 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -60.53 -32.02 71.08 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.432 1.015 . . . . 0.0 111.824 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.0 m -75.52 -43.56 48.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.347 1.059 . . . . 0.0 111.196 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.14 -37.77 75.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.713 1.205 . . . . 0.0 112.337 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.92 -16.98 64.35 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.8 m -68.37 162.49 61.09 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.772 1.229 . . . . 0.0 112.305 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.91 153.0 73.43 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.09 1.86 . . . . 0.0 111.182 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 35.0 m -58.65 120.37 8.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.921 1.288 . . . . 0.0 113.156 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.9 p -160.23 159.18 26.61 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.118 0.967 . . . . 0.0 113.15 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -57.71 -33.83 97.31 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.589 2.193 . . . . 0.0 111.617 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -63.83 -43.99 94.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.986 1.314 . . . . 0.0 111.343 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.29 -49.29 76.22 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.653 0.781 . . . . 0.0 110.574 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.01 -47.88 81.71 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.218 0.607 . . . . 0.0 110.481 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.09 -40.53 89.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.926 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.53 -44.21 94.89 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.929 1.24 . . . . 0.0 112.6 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 59.2 t -63.43 -40.86 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 119.748 1.158 . . . . 0.0 110.205 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.08 -39.81 91.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.624 0.647 . . . . 0.0 111.224 174.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -62.1 -47.0 86.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 110.918 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.24 -44.5 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.134 1.374 . . . . 0.0 110.726 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.24 -42.69 79.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.115 0.966 . . . . 0.0 112.21 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.67 -23.11 67.24 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.231 1.012 . . . . 0.0 112.296 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 47.4 m -80.96 -8.35 59.74 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.516 1.126 . . . . 0.0 112.282 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -138.13 58.95 16.57 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.255 2.222 . . . . 0.0 110.53 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.21 -32.68 41.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.54 2.827 . . . . 0.0 115.923 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -50.9 -50.22 57.78 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.772 1.629 . . . . 0.0 112.76 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.77 -28.7 27.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 4.8 ttp -72.02 -52.18 18.19 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.19 0.596 . . . . 0.0 112.032 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.83 85.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.408 1.083 . . . . 0.0 112.325 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.7 95.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.901 0.48 . . . . 0.0 111.555 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.3 -52.68 21.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.575 0.75 . . . . 0.0 112.701 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -43.22 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.812 0.733 . . . . 0.0 112.776 -176.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 10.8 mtpm? -60.76 -19.42 59.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -98.54 -42.48 7.28 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.122 174.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -62.79 -36.93 84.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.388 1.475 . . . . 0.0 112.984 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -56.27 -29.68 61.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.14 0.976 . . . . 0.0 113.064 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.24 -13.46 28.34 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.58 1.152 . . . . 0.0 113.986 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 44.8 tptt . . . . . 0 N--CA 1.478 0.938 0 C-N-CA 126.759 2.024 . . . . 0.0 112.644 178.599 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 121.035 0.445 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -35.64 -43.03 0.26 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.239 2.215 . . . . 0.0 116.639 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -60.28 -34.49 73.82 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -90.62 -26.98 19.37 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.003 1.321 . . . . 0.0 111.411 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.4 -35.96 76.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.512 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -57.55 -36.23 71.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.447 1.022 . . . . 0.0 112.833 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.28 -31.88 49.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.178 1.391 . . . . 0.0 113.14 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 mt . . . . . 0 CA--C 1.537 0.442 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -175.716 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 31.9 tpp -151.14 159.88 44.2 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.744 0.817 . . . . 0.0 113.087 -174.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.54 149.38 48.83 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.834 0.854 . . . . 0.0 111.728 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -130.93 166.63 26.14 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 127.269 2.228 . . . . 0.0 111.046 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -54.86 -28.24 57.33 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.621 2.214 . . . . 0.0 113.95 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.45 -34.42 72.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.306 1.042 . . . . 0.0 112.843 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -77.28 -30.57 54.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.331 1.052 . . . . 0.0 111.884 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.64 -35.57 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.55 1.54 . . . . 0.0 111.471 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.67 -3.34 30.8 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.204 -1.56 . . . . 0.0 113.302 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -46.67 12.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.049 1.34 . . . . 0.0 114.303 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -19.65 55.31 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -173.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -12.7 36.2 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -174.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 37.7 t -162.47 145.29 8.64 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 123.963 0.905 . . . . 0.0 112.217 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -62.07 -19.73 67.31 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.026 2.484 . . . . 0.0 113.208 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.8 p -64.77 -32.36 74.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.152 -0.968 . . . . 0.0 111.808 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.67 -33.71 73.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.251 1.02 . . . . 0.0 112.538 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.28 -32.41 71.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.188 0.995 . . . . 0.0 109.79 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.06 -36.67 66.92 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.783 -0.573 . . . . 0.0 110.669 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -64.29 -34.33 77.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.391 -0.818 . . . . 0.0 111.196 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.53 -45.03 95.38 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.375 -0.828 . . . . 0.0 109.559 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.66 -48.41 81.92 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.791 -0.624 . . . . 0.0 111.856 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -62.94 -31.48 72.59 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 119.951 1.25 . . . . 0.0 112.353 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 97.9 m -69.63 -40.96 76.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.513 1.125 . . . . 0.0 111.102 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 31.1 tp -63.11 -38.74 92.37 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.231 -0.918 . . . . 0.0 110.352 174.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -74.57 45.39 0.24 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.507 1.923 . . . . 0.0 114.233 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 16.1 p -146.08 161.41 39.59 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.297 1.439 . . . . 0.0 111.606 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 157.44 39.19 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.817 2.345 . . . . 0.0 113.093 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.0 m -54.49 107.93 0.33 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.934 1.694 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -159.83 160.05 27.38 Favored Pre-proline 0 N--CA 1.472 0.668 0 C-N-CA 123.946 0.899 . . . . 0.0 112.804 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -59.72 -29.59 90.07 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.398 2.066 . . . . 0.0 111.889 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.023 0.929 . . . . 0.0 111.369 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.0 -44.96 95.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.25 0.62 . . . . 0.0 110.219 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.87 -40.93 97.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.829 0.852 . . . . 0.0 111.645 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -62.72 -40.02 95.87 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.678 -0.638 . . . . 0.0 110.694 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -61.16 -45.85 92.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.737 0.699 . . . . 0.0 110.671 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 95.1 t -58.18 -48.81 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 118.744 0.702 . . . . 0.0 110.244 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.25 -46.17 83.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.089 0.956 . . . . 0.0 111.465 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -60.04 -48.95 79.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.799 0.84 . . . . 0.0 111.835 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.89 -53.7 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.37 1.068 . . . . 0.0 110.073 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.77 -42.96 99.93 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.89 -26.64 68.41 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.255 1.389 . . . . 0.0 112.73 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 45.8 m -84.31 -6.46 59.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.409 1.084 . . . . 0.0 112.464 174.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -133.07 63.53 67.01 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.861 2.064 . . . . 0.0 110.131 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -57.76 -39.33 88.18 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.127 3.218 . . . . 0.0 114.525 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -41.62 76.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.01 -35.68 23.69 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.728 0.695 . . . . 0.0 112.758 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.3 -52.37 48.0 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.197 0.599 . . . . 0.0 112.233 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.6 78.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.276 0.63 . . . . 0.0 111.547 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.05 96.66 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.605 -0.684 . . . . 0.0 110.743 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.74 -53.21 23.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.09 0.956 . . . . 0.0 113.093 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -42.87 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.719 1.145 . . . . 0.0 112.668 -177.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.92 -16.37 50.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.789 0.722 . . . . 0.0 112.935 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -99.14 -45.68 5.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 111.702 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.4 75.26 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.923 1.289 . . . . 0.0 112.711 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.2 t -51.46 -32.7 28.02 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.926 1.291 . . . . 0.0 112.858 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.93 -17.95 64.03 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.135 1.374 . . . . 0.0 114.344 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 N--CA 1.483 1.2 0 C-N-CA 127.02 2.128 . . . . 0.0 114.174 -175.387 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 63.2 p . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -48.48 -34.27 10.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.236 1.014 . . . . 0.0 113.684 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -62.58 -31.44 72.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.85 1.26 . . . . 0.0 113.893 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.72 -23.63 29.24 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 111.856 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.36 -34.61 75.59 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.479 -0.763 . . . . 0.0 110.825 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -58.75 -34.2 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.156 0.582 . . . . 0.0 112.265 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -77.73 -34.21 52.69 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.999 1.32 . . . . 0.0 112.217 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 124.439 1.096 . . . . 0.0 112.429 178.517 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 121.126 0.489 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.7 tpp -142.03 132.98 25.91 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.88 1.272 . . . . 0.0 110.945 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.56 175.34 0.47 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.354 3.062 . . . . 0.0 114.51 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -126.67 164.89 31.77 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.618 2.367 . . . . 0.0 109.499 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -56.2 -28.63 71.93 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.356 2.037 . . . . 0.0 113.724 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -27.02 65.47 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.109 1.364 . . . . 0.0 113.419 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -91.49 -28.77 17.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 111.792 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 50.4 mt -81.78 -32.22 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.984 1.314 . . . . 0.0 111.297 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.91 2.62 4.09 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.64 -1.287 . . . . 0.0 112.998 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -78.47 -60.18 2.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.472 1.509 . . . . 0.0 113.104 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -20.79 61.59 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -172.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -9.96 59.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -177.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 19.0 pt . . . . . 0 N--CA 1.471 0.608 0 CA-C-O 120.459 0.171 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.4 m -145.23 136.57 12.65 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.687 1.195 . . . . 0.0 111.197 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.38 -24.46 31.38 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.008 2.472 . . . . 0.0 112.415 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 27.0 p -55.85 -31.5 62.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.065 0.946 . . . . 0.0 112.72 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.08 71.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.368 1.067 . . . . 0.0 112.194 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.67 -41.75 68.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.928 1.291 . . . . 0.0 110.487 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -67.05 -42.14 85.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.547 -0.721 . . . . 0.0 111.103 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -66.34 -29.45 69.64 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.671 -0.643 . . . . 0.0 112.353 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.35 -50.1 69.05 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.207 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 39.8 mt -59.61 -46.65 88.35 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 118.785 -0.626 . . . . 0.0 112.618 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.63 -29.71 70.24 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.599 1.09 . . . . 0.0 112.145 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 85.9 m -73.8 -41.71 61.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.481 1.112 . . . . 0.0 110.343 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.39 -33.99 74.6 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.588 1.555 . . . . 0.0 111.943 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -57.48 -27.29 62.38 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -66.04 160.18 65.34 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.901 1.28 . . . . 0.0 112.503 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.62 150.88 83.71 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.102 1.868 . . . . 0.0 111.392 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.6 m -55.54 122.61 11.68 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.715 1.606 . . . . 0.0 113.644 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 94.8 p -163.23 159.26 18.3 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -59.79 -28.13 86.54 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.901 2.401 . . . . 0.0 112.209 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -65.6 -44.08 87.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.017 0.927 . . . . 0.0 110.701 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -62.13 -46.41 89.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.171 0.989 . . . . 0.0 110.774 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.59 -50.41 70.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.974 1.31 . . . . 0.0 110.696 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.13 -40.67 98.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.114 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.44 -41.67 98.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.801 1.182 . . . . 0.0 112.7 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.7 t -64.72 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.754 1.161 . . . . 0.0 110.617 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.65 -43.53 97.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.837 0.744 . . . . 0.0 110.38 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.61 -46.62 89.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.686 0.794 . . . . 0.0 111.236 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.43 -45.94 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.158 1.383 . . . . 0.0 110.94 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.55 -43.91 75.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.857 0.863 . . . . 0.0 113.085 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.36 -13.88 59.57 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 61.8 m -81.36 -9.77 59.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.794 1.238 . . . . 0.0 112.553 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.3 p30 -148.41 61.75 5.98 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 127.832 2.453 . . . . 0.0 109.548 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -62.69 -15.91 49.56 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.631 2.888 . . . . 0.0 115.645 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -52.63 -47.65 66.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.256 1.422 . . . . 0.0 111.753 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.82 -28.01 28.36 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 15.5 tmm? -70.24 -47.12 62.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.764 0.826 . . . . 0.0 111.92 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.04 76.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.343 0.657 . . . . 0.0 112.062 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.07 -39.47 82.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.691 -0.631 . . . . 0.0 110.735 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.13 -52.52 63.53 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.962 0.905 . . . . 0.0 111.534 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -38.4 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.415 1.007 . . . . 0.0 111.949 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.87 -28.83 62.29 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.197 0.908 . . . . 0.0 112.884 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.99 -42.67 9.32 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.383 0.673 . . . . 0.0 111.633 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -32.72 73.3 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.158 1.383 . . . . 0.0 113.47 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.6 t -59.5 -31.27 69.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.594 1.157 . . . . 0.0 112.808 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.18 -13.69 40.25 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.5 1.12 . . . . 0.0 113.837 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 21.4 tptp . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 126.558 1.943 . . . . 0.0 112.61 179.392 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.056 -0.021 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.93 -30.6 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.958 1.303 . . . . 0.0 113.488 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -56.28 -37.24 69.57 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.942 1.697 . . . . 0.0 113.128 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -83.0 -29.76 28.68 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.816 1.247 . . . . 0.0 111.918 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.01 -35.61 77.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.236 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -60.95 -30.68 70.38 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.593 1.088 . . . . 0.0 112.436 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -75.27 -23.2 57.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.984 1.314 . . . . 0.0 113.344 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 124.677 1.191 . . . . 0.0 113.499 178.846 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 122.068 0.937 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 138.74 55.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.882 0.873 . . . . 0.0 111.797 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.0 155.17 20.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.676 1.191 . . . . 0.0 112.999 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -135.76 167.31 22.74 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 127.211 2.204 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -55.09 -26.61 51.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.621 2.214 . . . . 0.0 113.919 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.67 -33.41 71.53 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.469 1.107 . . . . 0.0 112.81 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -77.7 -35.86 51.73 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.291 1.036 . . . . 0.0 111.343 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 43.7 mt -73.23 -36.99 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.243 1.417 . . . . 0.0 111.166 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.86 -5.25 45.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 113.3 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -47.28 11.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -22.97 60.16 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -173.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -17.11 34.66 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 22.3 pt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 74.4 m -91.47 123.08 64.85 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 123.985 0.914 . . . . 0.0 109.168 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.93 -23.27 74.17 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.879 2.386 . . . . 0.0 114.139 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.3 p -64.32 -36.75 85.12 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.942 0.897 . . . . 0.0 112.314 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.18 74.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.386 1.074 . . . . 0.0 112.433 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -42.32 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.013 0.925 . . . . 0.0 110.029 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.55 -37.77 74.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.865 -0.522 . . . . 0.0 111.256 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -65.98 -31.0 71.66 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.502 -0.749 . . . . 0.0 111.7 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.29 -44.17 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.829 -1.169 . . . . 0.0 109.845 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.21 -48.55 79.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.902 -0.571 . . . . 0.0 112.357 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -60.87 -34.41 74.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.676 1.125 . . . . 0.0 111.704 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.3 m -69.54 -43.82 72.2 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.391 1.076 . . . . 0.0 110.832 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.47 -40.54 93.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.057 1.343 . . . . 0.0 112.483 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.29 -33.12 75.24 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.292 1.037 . . . . 0.0 113.603 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 36.1 m -72.63 159.95 84.06 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.496 1.118 . . . . 0.0 111.204 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -61.72 149.66 89.0 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.671 2.247 . . . . 0.0 113.461 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.5 t -77.86 147.57 35.07 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.274 1.429 . . . . 0.0 114.087 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 77.9 p -168.89 162.87 7.95 Favored Pre-proline 0 N--CA 1.473 0.689 0 C-N-CA 127.413 2.285 . . . . 0.0 109.931 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -56.2 -33.12 89.76 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.407 2.071 . . . . 0.0 111.731 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -67.37 -43.11 82.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.56 1.144 . . . . 0.0 110.64 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -64.47 -40.12 95.11 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.987 0.915 . . . . 0.0 111.438 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.44 -48.39 81.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.927 0.891 . . . . 0.0 109.919 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.78 -37.79 77.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.061 0.544 . . . . 0.0 111.658 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -60.8 -45.0 96.12 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.257 0.935 . . . . 0.0 112.516 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 94.7 t -64.85 -42.91 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.073 0.851 . . . . 0.0 110.277 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.01 -38.54 82.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.611 -0.681 . . . . 0.0 111.138 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.43 -46.11 84.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.756 1.162 . . . . 0.0 111.003 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.85 -44.97 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.974 1.31 . . . . 0.0 110.28 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.26 -46.38 77.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 112.166 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -62.33 -27.23 68.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.655 1.182 . . . . 0.0 112.533 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.5 m -77.84 -7.5 56.75 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.536 1.134 . . . . 0.0 112.639 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.83 61.39 35.36 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.256 2.222 . . . . 0.0 110.149 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.65 -37.7 21.03 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 124.182 3.254 . . . . 0.0 116.391 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -47.54 -47.85 27.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.852 1.661 . . . . 0.0 113.413 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.64 -30.72 26.65 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 22.8 ttp -80.01 -45.68 17.97 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.602 -0.686 . . . . 0.0 112.241 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.91 69.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -74.89 -37.92 62.01 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 122.996 0.518 . . . . 0.0 112.066 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.31 -49.47 27.31 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.116 0.967 . . . . 0.0 112.687 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -37.53 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.64 0.776 . . . . 0.0 111.45 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.92 -20.76 62.61 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -94.58 -42.28 8.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.515 1.126 . . . . 0.0 109.967 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -38.33 80.57 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.203 1.401 . . . . 0.0 112.958 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -57.13 -32.87 66.8 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.147 0.979 . . . . 0.0 113.073 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.49 -19.05 65.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.628 0.771 . . . . 0.0 113.032 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2108 ' ' LYS . . . . . 0.485 ' HA ' ' HE2' ' A' 2108 ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 126.535 1.934 . . . . 0.0 111.982 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -47.2 -38.96 12.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.134 1.374 . . . . 0.0 114.571 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -65.19 -33.26 75.59 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.947 0.899 . . . . 0.0 113.094 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -76.13 -25.51 55.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.398 1.079 . . . . 0.0 112.662 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.91 -34.47 78.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.567 -0.708 . . . . 0.0 110.829 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -61.06 -32.94 72.56 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.221 0.609 . . . . 0.0 112.489 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -74.57 -32.23 62.33 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.067 1.347 . . . . 0.0 112.027 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.472 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.31 177.25 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 120.378 0.132 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.94 140.41 28.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.052 -176.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.2 mt -69.01 167.46 15.87 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.965 0.888 . . . . 0.0 112.755 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.2 m -127.97 165.08 32.84 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 127.095 2.158 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.46 -24.09 59.31 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.03 1.82 . . . . 0.0 112.892 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.3 -33.13 67.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.391 1.476 . . . . 0.0 112.582 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -75.58 -30.17 59.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.418 1.087 . . . . 0.0 112.22 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.3 -40.22 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 110.397 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.46 -2.26 27.92 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.828 -1.17 . . . . 0.0 113.001 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -55.07 4.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.471 1.108 . . . . 0.0 112.944 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -26.48 67.9 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -174.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -16.93 43.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 52.0 m -129.04 131.88 24.0 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.177 0.991 . . . . 0.0 112.945 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.47 -21.92 19.06 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.39 2.727 . . . . 0.0 113.495 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 33.1 p -73.73 -30.78 63.02 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.611 1.164 . . . . 0.0 113.605 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.71 73.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.987 0.812 . . . . 0.0 111.467 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.25 -44.29 79.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.514 1.526 . . . . 0.0 109.623 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.959 -0.463 . . . . 0.0 111.419 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.81 -33.78 76.81 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.359 1.064 . . . . 0.0 111.628 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.28 -49.17 72.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.95 -47.08 83.97 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -61.52 -26.96 68.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.411 1.005 . . . . 0.0 112.878 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 62.9 m -81.55 -42.27 20.4 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.952 1.301 . . . . 0.0 111.305 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 44.4 tp -56.73 -28.41 61.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.756 1.622 . . . . 0.0 113.007 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -59.71 -23.19 62.95 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.6 m -73.43 149.44 88.82 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.219 1.007 . . . . 0.0 111.011 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.32 153.94 73.93 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.959 2.439 . . . . 0.0 113.98 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 46.1 m -55.57 119.92 6.42 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.305 1.842 . . . . 0.0 113.42 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -166.84 161.69 11.28 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 125.25 1.42 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.72 -32.37 83.79 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.571 2.181 . . . . 0.0 111.788 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.96 -49.34 75.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.087 1.355 . . . . 0.0 111.033 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -62.2 -46.94 86.69 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.563 1.145 . . . . 0.0 110.747 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.98 -50.49 73.89 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.665 0.786 . . . . 0.0 111.607 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.31 -39.91 94.57 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.157 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -63.41 -47.35 82.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.037 1.289 . . . . 0.0 111.718 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.5 t -58.73 -43.71 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.894 0.77 . . . . 0.0 110.681 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.73 -40.29 95.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.797 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.57 -43.68 97.02 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.899 1.227 . . . . 0.0 110.779 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.7 -47.19 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.443 1.097 . . . . 0.0 109.86 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.23 -36.25 83.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.911 0.885 . . . . 0.0 112.781 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.67 -19.29 62.17 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.657 -1.277 . . . . 0.0 113.392 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.7 m -83.98 -4.21 58.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.381 1.073 . . . . 0.0 112.566 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.11 65.94 7.65 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 128.478 2.711 . . . . 0.0 107.933 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.7 -27.59 68.62 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.961 2.441 . . . . 0.0 113.967 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2096 ' ' GLN . . . . . 0.558 ' CG ' ' H ' ' A' 2097 ' ' LEU . 0.0 OUTLIER -29.8 -71.53 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 128.847 2.859 . . . . 0.0 115.067 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2097 ' ' LEU . . . . . 0.558 ' H ' ' CG ' ' A' 2096 ' ' GLN . 3.3 pp -71.49 -34.7 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.254 2.222 . . . . 0.0 114.527 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 38.6 ttp -68.99 -45.09 71.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.72 0.691 . . . . 0.0 111.223 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.77 -46.1 91.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 111.665 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.73 84.46 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.527 -0.733 . . . . 0.0 112.037 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.37 -53.29 20.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.511 0.724 . . . . 0.0 111.946 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.14 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.367 0.985 . . . . 0.0 111.535 -177.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -58.04 -25.78 61.63 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.13 -37.44 9.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.363 1.065 . . . . 0.0 112.176 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -29.22 67.29 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.513 1.525 . . . . 0.0 113.385 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.6 t -57.17 -34.56 68.59 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.238 1.015 . . . . 0.0 112.127 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -61.16 -14.53 25.64 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.089 1.356 . . . . 0.0 113.674 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmtp . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 126.995 2.118 . . . . 0.0 113.196 -178.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -40.01 -49.99 2.53 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.4 m -61.71 -36.69 81.64 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -87.6 -25.02 23.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.292 0.496 . . . . 0.0 112.08 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.14 -33.23 68.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.544 0.738 . . . . 0.0 110.621 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -69.33 -46.49 66.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.903 0.774 . . . . 0.0 111.62 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.69 -30.9 71.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 113.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.783 1.233 . . . . 0.0 113.508 177.796 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 21.6 tpp -158.06 161.19 38.0 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.181 1.392 . . . . 0.0 111.089 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.02 127.13 31.79 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.822 0.849 . . . . 0.0 110.775 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -83.38 163.55 49.47 Favored Pre-proline 0 N--CA 1.47 0.557 0 C-N-CA 125.371 1.468 . . . . 0.0 110.824 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.9 -27.39 84.72 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 121.735 1.623 . . . . 0.0 111.172 175.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -36.01 76.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.603 1.961 . . . . 0.0 112.897 175.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.57 -30.92 69.8 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.566 -0.709 . . . . 0.0 111.608 176.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mt -79.82 -40.35 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.755 1.222 . . . . 0.0 111.492 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.21 -0.24 16.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.566 -1.334 . . . . 0.0 113.512 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -51.19 7.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.859 1.264 . . . . 0.0 114.022 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -25.38 62.46 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.03 -9.98 51.74 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.109 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 44.8 pt . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 111.366 0.136 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -132.79 148.84 71.08 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.451 1.1 . . . . 0.0 113.12 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.84 -25.59 32.96 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.657 2.905 . . . . 0.0 114.259 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.1 p -58.27 -36.51 73.37 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.769 1.628 . . . . 0.0 113.186 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.68 -41.9 82.51 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.634 1.173 . . . . 0.0 112.736 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -34.64 76.21 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.059 0.544 . . . . 0.0 111.502 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.21 -40.43 82.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.899 -0.5 . . . . 0.0 110.374 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.2 -34.39 77.92 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.792 0.837 . . . . 0.0 111.151 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.55 -44.01 83.51 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.407 -0.808 . . . . 0.0 109.974 175.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.66 -48.63 80.91 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.717 0.69 . . . . 0.0 111.595 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -63.19 -35.0 78.85 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.383 0.992 . . . . 0.0 111.871 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.4 m -62.11 -48.53 79.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.22 1.008 . . . . 0.0 110.361 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.18 -37.61 88.1 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.736 0.815 . . . . 0.0 112.094 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -63.31 -35.48 80.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.6 0.76 . . . . 0.0 112.706 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.9 m -70.62 152.25 95.32 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 110.662 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.51 152.48 80.02 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.949 2.433 . . . . 0.0 114.501 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 14.0 p -61.85 133.66 55.74 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.038 1.735 . . . . 0.0 114.356 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 92.3 p -168.77 161.3 8.37 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 126.574 1.95 . . . . 0.0 110.44 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.63 -34.9 75.48 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.668 2.245 . . . . 0.0 111.83 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -66.59 -39.95 88.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.756 1.222 . . . . 0.0 111.506 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -45.04 87.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.414 0.686 . . . . 0.0 111.065 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -61.11 -44.7 96.95 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.228 1.011 . . . . 0.0 110.58 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.1 -36.86 85.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.965 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -58.32 -40.48 82.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.194 0.906 . . . . 0.0 111.849 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 92.1 t -60.89 -46.66 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.81 0.732 . . . . 0.0 109.972 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.92 -36.84 77.87 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.828 0.74 . . . . 0.0 111.955 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -63.06 -47.62 82.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.365 0.984 . . . . 0.0 110.923 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.46 -46.12 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.462 1.505 . . . . 0.0 110.595 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.36 -43.62 85.48 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.055 0.942 . . . . 0.0 111.842 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -66.17 -19.63 65.89 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.955 1.252 . . . . 0.0 113.388 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.5 m -80.26 -8.55 59.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.01 0.924 . . . . 0.0 111.873 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -140.33 62.74 20.69 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 127.681 2.392 . . . . 0.0 109.405 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -56.33 -28.66 73.22 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.144 2.563 . . . . 0.0 115.497 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -51.49 -48.15 62.99 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.938 1.295 . . . . 0.0 112.874 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.58 -32.6 36.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.0 ppp? -80.33 -37.86 31.7 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.624 1.102 . . . . 0.0 113.673 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.72 70.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.665 0.666 . . . . 0.0 112.028 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.46 -42.39 78.83 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.998 -0.439 . . . . 0.0 111.002 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.75 -52.87 63.27 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 111.979 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -37.89 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.089 0.858 . . . . 0.0 113.244 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -52.86 -32.77 46.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.304 0.956 . . . . 0.0 113.129 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -95.3 -40.72 9.4 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.805 0.842 . . . . 0.0 111.349 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -61.65 -30.98 71.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.0 t -55.46 -31.69 62.17 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.41 1.005 . . . . 0.0 112.775 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.88 58.97 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.042 1.337 . . . . 0.0 113.924 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 N--CA 1.481 1.113 0 C-N-CA 127.661 2.384 . . . . 0.0 113.433 -176.064 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -54.01 -40.03 66.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.524 0.73 . . . . 0.0 112.247 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -60.85 -35.5 76.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.385 1.074 . . . . 0.0 112.773 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -77.39 -30.85 53.85 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.71 -40.31 72.24 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.707 -0.621 . . . . 0.0 110.7 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -67.21 -15.68 63.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -88.65 -31.6 18.46 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.138 0.975 . . . . 0.0 111.078 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 CA--C 1.54 0.567 0 C-N-CA 124.517 1.127 . . . . 0.0 112.939 -179.503 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttm -158.3 155.29 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.015 1.326 . . . . 0.0 111.865 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.53 167.95 8.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.965 1.306 . . . . 0.0 113.43 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 21.9 p -133.62 171.84 8.4 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 128.552 2.741 . . . . 0.0 110.602 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -62.5 -22.98 74.69 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 121.566 1.511 . . . . 0.0 112.495 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.0 -30.65 71.65 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.526 1.13 . . . . 0.0 111.863 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.28 -28.57 57.08 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.68 -36.06 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.89 0.73 50.07 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.459 -0.776 . . . . 0.0 112.77 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.12 -57.87 3.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.781 -1.199 . . . . 0.0 111.821 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -23.6 66.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -174.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.04 -13.64 35.52 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2063 ' ' ILE . . . . . 0.403 ' CG2' HE21 ' A' 2096 ' ' GLN . 37.5 pt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 16.8 m -154.74 146.87 17.33 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.844 1.258 . . . . 0.0 111.502 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.79 -19.87 26.88 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.608 2.872 . . . . 0.0 113.612 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 35.4 p -57.74 -33.68 68.71 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.298 0.954 . . . . 0.0 112.788 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.28 67.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.425 1.09 . . . . 0.0 112.752 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.03 -46.07 68.88 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.967 0.907 . . . . 0.0 109.974 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.22 -38.71 91.26 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.493 -0.755 . . . . 0.0 110.837 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -37.94 88.02 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.522 0.729 . . . . 0.0 111.787 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.42 -49.09 75.12 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.646 0.778 . . . . 0.0 109.286 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.49 -47.34 84.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.284 0.633 . . . . 0.0 112.402 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -62.97 -27.24 69.26 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.184 0.902 . . . . 0.0 112.916 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 91.5 m -79.07 -43.69 23.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.465 1.106 . . . . 0.0 110.992 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.36 -33.45 74.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.148 1.779 . . . . 0.0 112.887 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 55.5 mttm -72.73 40.99 0.09 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.203 1.801 . . . . 0.0 114.411 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.7 m -147.1 168.69 10.8 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 128.138 2.575 . . . . 0.0 110.801 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -54.6 149.99 37.33 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.95 3.1 . . . . 0.0 114.738 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 74.6 m -73.09 126.7 30.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.371 1.068 . . . . 0.0 112.382 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.4 p -163.88 158.45 16.62 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 124.923 1.289 . . . . 0.0 111.909 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.89 -23.98 74.25 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 121.888 1.725 . . . . 0.0 111.633 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.82 -42.36 77.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.181 0.992 . . . . 0.0 110.61 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.86 -45.97 91.46 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.681 -0.637 . . . . 0.0 109.824 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.53 -45.27 89.22 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.21 0.604 . . . . 0.0 110.788 176.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.15 -42.69 91.3 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.54 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -63.9 -42.61 97.39 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.893 1.224 . . . . 0.0 111.908 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 76.9 t -62.1 -42.5 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.332 0.969 . . . . 0.0 110.355 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.76 -39.32 93.8 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.405 -0.81 . . . . 0.0 111.379 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.86 -44.07 97.52 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.403 1.001 . . . . 0.0 110.514 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 56.0 mt -63.93 -42.17 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.426 1.491 . . . . 0.0 110.922 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 -36.1 69.17 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.324 1.05 . . . . 0.0 113.11 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.22 -24.8 60.43 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.752 1.221 . . . . 0.0 113.969 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.8 m -78.61 -6.77 56.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.462 1.105 . . . . 0.0 113.325 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -146.79 64.68 9.4 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 127.615 2.366 . . . . 0.0 109.356 -178.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -62.07 -23.54 75.75 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.506 2.804 . . . . 0.0 115.673 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2096 ' ' GLN . . . . . 0.403 HE21 ' CG2' ' A' 2063 ' ' ILE . 4.5 mp0 -45.87 -47.64 16.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.148 1.379 . . . . 0.0 113.562 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.01 -34.71 24.25 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 7.4 ptm -80.17 -34.64 37.38 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.489 1.04 . . . . 0.0 113.317 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.77 81.75 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.387 0.54 . . . . 0.0 111.764 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.08 83.14 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.617 -0.677 . . . . 0.0 111.499 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.77 -52.94 61.25 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.637 0.375 . . . . 0.0 111.862 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -43.24 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 118.937 0.79 . . . . 0.0 111.846 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -63.07 -14.84 53.22 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.71 -41.74 7.55 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.495 1.118 . . . . 0.0 110.346 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -58.0 -42.04 84.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.404 1.882 . . . . 0.0 112.052 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.1 t -58.17 -30.09 66.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.173 1.389 . . . . 0.0 113.937 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.39 75.07 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.095 -1.003 . . . . 0.0 112.975 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 26.9 tptp . . . . . 0 N--CA 1.478 0.946 0 C-N-CA 124.521 1.128 . . . . 0.0 112.136 177.076 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.55 -34.04 3.1 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.703 1.601 . . . . 0.0 113.985 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -53.99 -36.64 63.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.526 1.13 . . . . 0.0 113.338 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.06 -26.33 27.05 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.56 -38.77 88.68 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.755 -0.591 . . . . 0.0 109.675 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -66.12 -20.95 66.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -83.02 -6.34 59.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.531 1.133 . . . . 0.0 112.407 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 CA--C 1.54 0.589 0 C-N-CA 125.552 1.541 . . . . 0.0 112.481 -178.795 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.5 tpp -160.51 166.98 28.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.22 1.808 . . . . 0.0 110.687 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.02 175.21 1.27 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.235 1.414 . . . . 0.0 113.285 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -131.98 160.87 65.89 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 128.083 2.553 . . . . 0.0 110.014 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -56.08 -22.62 40.19 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.138 1.892 . . . . 0.0 112.014 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.19 -35.76 74.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 112.393 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.44 -30.3 68.19 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.006 0.922 . . . . 0.0 111.765 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 11.0 mt -77.71 -45.56 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.477 1.111 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.29 -5.29 38.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.48 -0.762 . . . . 0.0 112.979 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -59.99 2.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.794 1.238 . . . . 0.0 112.628 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -26.43 68.1 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -172.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -10.28 49.08 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 39.2 pt . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 75.0 m -141.33 139.83 19.67 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.29 1.436 . . . . 0.0 110.419 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -64.3 -25.71 64.23 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.1 2.533 . . . . 0.0 113.694 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.4 p -65.01 -35.13 80.19 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.923 1.289 . . . . 0.0 113.464 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.8 74.02 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.678 -0.639 . . . . 0.0 112.237 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.9 -34.99 74.26 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.538 -0.727 . . . . 0.0 110.356 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.88 -34.24 76.28 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.502 -0.748 . . . . 0.0 110.069 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.68 -31.04 71.46 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.157 0.983 . . . . 0.0 111.213 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.6 tt -68.09 -39.39 82.89 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.797 -1.19 . . . . 0.0 109.349 172.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.77 -41.21 99.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.421 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -59.75 -31.24 69.46 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.141 1.791 . . . . 0.0 111.743 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 36.2 m -72.84 -42.77 63.41 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.258 1.423 . . . . 0.0 110.238 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.59 -40.62 97.48 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.857 1.263 . . . . 0.0 111.575 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -71.6 6.86 1.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.548 1.539 . . . . 0.0 113.878 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.8 m -121.69 150.62 55.71 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.283 1.833 . . . . 0.0 110.825 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -69.35 152.18 71.42 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.293 2.662 . . . . 0.0 114.435 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.0 m -61.05 136.9 58.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.685 1.594 . . . . 0.0 114.013 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 79.4 p -166.09 164.0 11.59 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.827 2.051 . . . . 0.0 109.724 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.01 -32.97 88.07 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.362 2.042 . . . . 0.0 111.711 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -68.86 -44.26 73.69 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.231 . . . . 0.0 110.784 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.54 98.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.812 0.845 . . . . 0.0 111.049 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.34 -47.01 85.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.42 1.088 . . . . 0.0 110.533 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -64.92 -38.82 92.24 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.901 -0.499 . . . . 0.0 112.019 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -57.96 -48.03 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.371 0.987 . . . . 0.0 111.354 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 93.3 t -57.5 -49.75 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.703 0.683 . . . . 0.0 110.315 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.28 -42.89 96.41 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.86 -47.76 81.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.256 0.934 . . . . 0.0 111.732 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 70.4 mt -62.4 -43.13 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 110.834 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.7 mt -66.73 -46.56 75.07 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.612 -0.68 . . . . 0.0 111.394 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -63.35 -19.57 64.75 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.133 -0.979 . . . . 0.0 113.307 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 59.9 m -78.17 -7.93 57.67 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.102 0.961 . . . . 0.0 111.968 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -137.44 58.02 15.92 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 127.33 2.252 . . . . 0.0 110.863 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.35 -35.43 44.37 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 123.688 2.926 . . . . 0.0 115.967 -175.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -52.23 -48.68 65.02 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.207 1.403 . . . . 0.0 112.928 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -35.34 23.93 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -73.13 -36.14 66.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.477 1.035 . . . . 0.0 113.451 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.9 83.94 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.975 0.807 . . . . 0.0 111.795 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.99 62.73 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 122.035 -0.416 . . . . 0.0 110.325 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.83 -52.86 63.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.145 0.978 . . . . 0.0 113.508 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -42.31 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.932 0.787 . . . . 0.0 110.745 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -66.16 -26.07 67.25 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.021 -1.049 . . . . 0.0 113.259 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.71 -43.54 62.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.931 1.241 . . . . 0.0 109.569 171.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -45.05 89.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.164 1.786 . . . . 0.0 112.717 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 1.8 t -61.76 -38.33 87.6 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.316 1.447 . . . . 0.0 113.05 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.28 -11.91 17.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.361 1.064 . . . . 0.0 113.204 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 128.251 2.621 . . . . 0.0 112.068 179.773 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.832 0.348 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.54 -36.3 10.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -64.06 -23.69 67.42 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.434 1.094 . . . . 0.0 113.903 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -90.83 -28.32 18.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.193 0.997 . . . . 0.0 111.281 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.52 -32.94 69.31 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.425 -0.797 . . . . 0.0 111.595 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -64.44 -32.14 73.64 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.853 0.751 . . . . 0.0 112.302 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -84.4 -30.33 25.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.887 1.675 . . . . 0.0 113.587 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -177.265 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -155.16 147.05 23.43 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.266 1.426 . . . . 0.0 111.376 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.7 163.35 19.26 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.359 1.064 . . . . 0.0 112.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.3 m -131.0 155.93 80.86 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 126.594 1.958 . . . . 0.0 110.138 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.28 -25.21 79.61 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.722 2.282 . . . . 0.0 113.808 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.92 -35.01 74.0 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.041 0.936 . . . . 0.0 112.555 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.61 -28.88 64.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.099 0.96 . . . . 0.0 111.639 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 21.8 mt -82.55 -42.13 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.198 1.399 . . . . 0.0 111.364 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.08 -2.83 13.97 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.263 -1.523 . . . . 0.0 113.587 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -44.35 20.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.951 1.3 . . . . 0.0 113.897 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -18.34 55.14 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -9.2 50.92 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.481 1.109 0 C-N-CA 125.184 1.394 . . . . 0.0 114.699 -178.815 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 3.9 pt . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -125.21 142.68 42.12 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.67 -18.68 37.3 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.656 2.904 . . . . 0.0 113.013 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 18.1 p -54.27 -35.53 62.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.426 1.09 . . . . 0.0 112.134 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.88 62.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.286 1.435 . . . . 0.0 113.233 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.6 mp -68.43 -43.32 77.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.018 0.927 . . . . 0.0 110.408 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -68.45 -42.5 78.74 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.947 -0.47 . . . . 0.0 110.841 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -63.64 -35.86 81.92 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.771 -0.581 . . . . 0.0 111.965 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.84 -49.9 68.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.199 -0.938 . . . . 0.0 109.322 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.79 -39.33 88.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.483 -0.77 . . . . 0.0 112.838 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -67.39 -31.65 72.01 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.221 1.373 . . . . 0.0 111.658 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.3 m -72.0 -38.3 69.68 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.884 1.274 . . . . 0.0 111.514 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.08 -36.39 70.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.342 1.457 . . . . 0.0 111.334 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.49 -26.51 65.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.2 m -64.81 154.9 84.53 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.189 0.996 . . . . 0.0 113.165 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -72.55 169.0 22.88 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.817 2.345 . . . . 0.0 111.027 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.7 m -62.99 97.26 0.1 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.862 1.265 . . . . 0.0 110.843 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 46.4 p -148.52 159.18 39.3 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -67.79 -18.92 47.53 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.366 2.044 . . . . 0.0 111.631 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -68.27 -40.13 81.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.294 -0.879 . . . . 0.0 110.048 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -63.94 -42.75 97.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.524 0.73 . . . . 0.0 110.52 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -56.59 -49.21 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.843 0.857 . . . . 0.0 110.404 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.81 -41.97 92.46 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.16 0.436 . . . . 0.0 111.509 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -63.04 -44.33 96.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.21 0.913 . . . . 0.0 112.385 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.9 t -58.33 -45.89 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.626 0.648 . . . . 0.0 109.843 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.24 -41.76 98.71 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.635 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -57.29 -46.98 82.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.515 1.507 . . . . 0.0 111.466 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.0 -49.11 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.927 1.291 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.79 -39.43 80.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.819 0.847 . . . . 0.0 113.176 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -67.78 -16.68 64.24 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.773 1.17 . . . . 0.0 112.696 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 51.3 m -88.93 -8.89 53.33 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.715 1.206 . . . . 0.0 111.812 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -140.81 53.79 4.12 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 127.389 2.275 . . . . 0.0 110.057 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.84 -20.38 66.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.946 2.43 . . . . 0.0 115.121 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -55.02 -46.65 75.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.204 1.402 . . . . 0.0 111.546 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.58 -28.52 28.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.72 0.808 . . . . 0.0 112.777 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 47.6 ttp -69.72 -48.55 59.09 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.96 0.8 . . . . 0.0 112.535 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.27 70.63 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.934 -0.479 . . . . 0.0 111.311 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.15 -53.08 13.77 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.98 1.312 . . . . 0.0 112.818 178.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -47.24 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.834 0.854 . . . . 0.0 112.316 -176.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 24.8 mttt -62.52 -18.21 61.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.03 -41.29 7.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 110.742 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.96 -38.62 86.56 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.148 1.779 . . . . 0.0 112.62 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 11.8 t -54.18 -29.19 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.108 0.963 . . . . 0.0 113.121 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.46 58.03 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.7 mmmt . . . . . 0 N--CA 1.478 0.95 0 C-N-CA 126.789 2.036 . . . . 0.0 113.486 178.183 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -46.02 -33.01 3.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.244 1.417 . . . . 0.0 113.608 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.0 t -56.78 -33.01 66.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.259 1.424 . . . . 0.0 113.448 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.43 -25.78 51.01 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.145 0.978 . . . . 0.0 113.341 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.4 -37.54 87.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.058 0.543 . . . . 0.0 110.684 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -59.26 -27.78 66.12 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -74.99 -23.06 58.2 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.663 1.185 . . . . 0.0 112.207 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -174.724 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -157.73 155.84 30.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.712 1.605 . . . . 0.0 110.957 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 146.71 9.1 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.464 1.506 . . . . 0.0 113.565 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -150.82 169.44 9.26 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 127.401 2.281 . . . . 0.0 111.097 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.24 -28.18 51.03 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.934 2.423 . . . . 0.0 114.216 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.11 -35.49 71.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.051 1.34 . . . . 0.0 112.954 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.38 -30.0 66.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.978 0.911 . . . . 0.0 111.876 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 mt -81.76 -46.29 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.171 1.388 . . . . 0.0 111.722 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.56 -2.67 17.78 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -81.26 -60.06 2.42 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.11 1.364 . . . . 0.0 111.91 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -22.43 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -174.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -10.58 59.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.281 -0.887 . . . . 0.0 113.288 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.886 0 C-N-CA 125.172 1.389 . . . . 0.0 113.978 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -128.67 136.19 28.75 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.031 0.932 . . . . 0.0 111.899 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.42 -22.17 39.55 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.939 2.426 . . . . 0.0 113.607 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.7 p -56.8 -33.88 67.13 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.366 0.985 . . . . 0.0 112.682 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.08 -31.6 69.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.962 1.305 . . . . 0.0 113.01 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.78 -42.09 77.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.863 0.865 . . . . 0.0 109.657 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -37.62 88.08 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.426 -0.797 . . . . 0.0 110.845 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -65.69 -36.13 82.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.6 -0.688 . . . . 0.0 112.102 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.55 -45.11 95.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.291 -0.881 . . . . 0.0 109.651 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.2 -44.56 95.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.772 -0.632 . . . . 0.0 112.319 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -63.13 -35.08 79.1 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.821 1.191 . . . . 0.0 111.645 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.2 m -66.56 -46.16 76.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.429 1.091 . . . . 0.0 110.528 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.93 -39.85 93.48 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -70.28 -16.2 62.99 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.0 m -82.98 157.71 65.86 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.611 1.164 . . . . 0.0 110.167 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.0 145.91 80.93 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.591 2.194 . . . . 0.0 113.698 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 52.8 m -64.0 132.68 51.35 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.596 . . . . 0.0 113.993 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 86.4 p -168.37 162.69 8.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 126.206 1.802 . . . . 0.0 110.856 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.12 -34.26 77.59 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.644 2.229 . . . . 0.0 111.725 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -67.96 -37.68 81.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.73 1.212 . . . . 0.0 111.291 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -66.67 -42.95 85.76 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.338 -0.851 . . . . 0.0 111.053 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.13 -46.58 87.99 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.824 0.85 . . . . 0.0 109.72 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.66 -37.03 77.63 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.131 0.972 . . . . 0.0 112.199 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -62.1 -43.21 99.34 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.245 1.384 . . . . 0.0 112.31 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 75.2 t -62.27 -42.59 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.474 1.034 . . . . 0.0 110.035 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.97 -39.28 88.96 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -62.17 -46.37 89.27 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.941 1.246 . . . . 0.0 111.183 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 65.1 mt -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.261 1.425 . . . . 0.0 110.341 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.48 -42.18 87.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.716 1.207 . . . . 0.0 112.0 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -63.42 -20.06 65.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.502 1.121 . . . . 0.0 112.998 176.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 46.5 m -87.06 -7.89 57.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.722 1.209 . . . . 0.0 112.174 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -141.17 57.37 7.54 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 128.036 2.534 . . . . 0.0 109.198 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.39 -21.9 69.32 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.187 2.591 . . . . 0.0 116.188 -171.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.55 -49.2 73.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.17 0.988 . . . . 0.0 112.096 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.72 -27.21 50.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 31.8 ttp -74.48 -49.35 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.609 0.763 . . . . 0.0 112.61 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.61 80.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.59 0.756 . . . . 0.0 112.006 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.72 87.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.5 0.72 . . . . 0.0 112.041 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 54.9 t80 -73.24 -52.7 13.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.715 0.806 . . . . 0.0 112.814 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -37.17 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.442 -0.786 . . . . 0.0 112.485 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -57.03 -23.59 47.52 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -98.64 -34.91 10.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.185 0.902 . . . . 0.0 111.942 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -63.16 -35.43 80.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.592 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 12.9 t -54.91 -34.11 62.8 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.039 0.836 . . . . 0.0 112.977 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -70.75 -9.89 58.29 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.701 1.201 . . . . 0.0 114.23 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 126.648 1.979 . . . . 0.0 113.025 179.769 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -44.58 -36.22 2.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.725 1.61 . . . . 0.0 114.164 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -59.55 -27.8 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.056 1.342 . . . . 0.0 113.78 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.29 -21.0 24.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.237 1.015 . . . . 0.0 112.189 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 mt -65.84 -33.58 76.19 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.285 -0.885 . . . . 0.0 110.305 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -58.67 -31.43 68.18 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -80.61 -13.77 58.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.686 1.594 . . . . 0.0 113.5 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.474 0.759 0 C-N-CA 125.253 1.421 . . . . 0.0 112.188 178.748 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.53 143.06 21.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.624 1.57 . . . . 0.0 110.14 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.64 154.28 21.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.635 1.174 . . . . 0.0 113.802 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -115.02 165.23 14.53 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 127.33 2.252 . . . . 0.0 111.775 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -58.75 -25.47 76.03 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.201 1.934 . . . . 0.0 113.453 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.33 -30.35 66.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 0.0 112.384 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.59 -28.03 56.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.609 1.564 . . . . 0.0 112.079 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 19.3 mt -79.87 -42.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 110.367 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.3 -1.3 14.84 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.254 -0.904 . . . . 0.0 113.316 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.17 -57.4 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 113.268 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -18.41 59.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -13.25 45.81 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -174.307 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 73.0 m -143.96 148.24 41.32 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 123.901 0.88 . . . . 0.0 112.212 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.84 -24.31 54.14 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.173 2.582 . . . . 0.0 113.115 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 22.2 p -60.58 -35.17 75.44 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.64 1.576 . . . . 0.0 113.169 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.673 0.789 . . . . 0.0 111.935 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.28 -31.27 65.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.524 0.73 . . . . 0.0 111.6 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.01 -40.37 65.24 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.397 -0.815 . . . . 0.0 110.207 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -66.29 -36.06 82.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 111.433 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.61 -50.26 73.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.104 0.962 . . . . 0.0 109.231 173.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.0 -46.4 89.39 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -61.84 -39.85 93.26 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.47 1.032 . . . . 0.0 111.434 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 54.0 m -67.19 -44.48 79.55 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 110.926 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.16 -40.69 90.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.584 1.154 . . . . 0.0 112.176 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -65.75 -31.48 72.49 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 60.4 m -64.26 158.45 64.75 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.297 1.039 . . . . 0.0 112.173 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -62.69 145.18 95.0 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.544 2.163 . . . . 0.0 111.997 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.7 t -65.92 134.52 53.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.393 1.077 . . . . 0.0 113.86 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.1 p -164.9 159.44 14.91 Favored Pre-proline 0 C--O 1.239 0.551 0 C-N-CA 126.781 2.033 . . . . 0.0 109.855 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -53.86 -35.59 80.16 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.465 2.11 . . . . 0.0 111.754 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -66.45 -40.62 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.057 1.343 . . . . 0.0 111.66 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -47.12 83.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.421 0.689 . . . . 0.0 110.963 176.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.61 -47.06 87.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.567 0.747 . . . . 0.0 110.367 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -57.66 -38.9 75.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.869 0.867 . . . . 0.0 112.293 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -62.54 -40.72 97.69 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.745 1.157 . . . . 0.0 112.374 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 47.4 t -65.61 -40.19 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.84 1.2 . . . . 0.0 110.164 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.95 -42.46 94.09 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.781 0.719 . . . . 0.0 110.645 174.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -61.44 -49.74 75.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.927 0.891 . . . . 0.0 110.867 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.25 -47.5 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.371 1.468 . . . . 0.0 111.047 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.2 -46.66 69.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.889 0.876 . . . . 0.0 112.823 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -64.24 -22.6 67.01 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 119.417 1.008 . . . . 0.0 113.05 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 15.5 t -79.29 -13.76 59.45 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 112.415 174.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -132.53 61.64 58.19 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 127.037 2.135 . . . . 0.0 109.343 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.59 -27.26 61.37 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.18 2.586 . . . . 0.0 116.093 -171.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -52.3 -49.78 63.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.106 . . . . 0.0 113.241 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.63 -32.49 31.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 19.3 tmm? -72.44 -46.63 54.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.02 0.827 . . . . 0.0 112.2 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.3 82.68 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.72 95.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.093 0.557 . . . . 0.0 111.395 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.06 -52.84 30.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.631 1.172 . . . . 0.0 112.806 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -41.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.92 -19.33 51.13 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -98.94 -49.51 4.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.584 1.154 . . . . 0.0 110.007 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.4 -35.49 67.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.585 1.154 . . . . 0.0 113.496 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.3 t -52.22 -31.82 33.82 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.186 1.394 . . . . 0.0 113.431 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.33 52.42 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.905 1.282 . . . . 0.0 114.19 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 42.9 tptt . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 126.282 1.833 . . . . 0.0 113.941 -177.394 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.76 -40.84 73.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.287 2.635 . . . . 0.0 114.111 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -66.47 -30.75 71.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.245 1.018 . . . . 0.0 110.837 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.96 -21.62 54.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.277 1.031 . . . . 0.0 112.942 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.9 mt -68.21 -32.27 72.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.538 1.063 . . . . 0.0 111.678 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -61.14 -36.16 79.02 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.97 0.805 . . . . 0.0 111.61 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -70.47 -25.16 63.04 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.576 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.93 134.9 9.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.25 1.42 . . . . 0.0 108.951 175.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.58 133.41 52.25 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -101.99 163.92 16.82 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 126.968 2.107 . . . . 0.0 111.582 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -61.82 -27.36 80.37 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.799 1.666 . . . . 0.0 112.197 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.32 -38.32 88.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 112.435 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.85 -31.73 61.72 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.451 -0.78 . . . . 0.0 112.112 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 28.8 mt -74.94 -37.52 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 123.899 0.88 . . . . 0.0 110.536 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.05 -4.42 41.23 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.036 -1.665 . . . . 0.0 112.853 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -50.53 9.59 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.99 -1.069 . . . . 0.0 113.448 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -25.84 67.71 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -173.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -10.29 44.26 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 33.8 pt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -130.35 132.42 24.02 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.061 0.944 . . . . 0.0 111.551 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.27 -21.15 42.03 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.061 2.507 . . . . 0.0 113.505 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 25.0 p -63.2 -31.97 73.25 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.676 1.19 . . . . 0.0 112.41 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.21 76.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.95 0.9 . . . . 0.0 111.869 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.29 -36.99 80.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.471 0.708 . . . . 0.0 111.217 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -66.58 -40.14 88.8 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.725 -0.61 . . . . 0.0 110.509 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -38.62 91.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.501 0.721 . . . . 0.0 111.169 174.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.65 -44.36 96.47 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.404 -0.81 . . . . 0.0 109.903 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.52 -43.91 97.65 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.233 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -65.21 -33.4 75.9 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.331 1.423 . . . . 0.0 111.735 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 90.6 m -65.14 -44.33 88.99 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 110.436 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.13 -44.18 92.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.302 1.441 . . . . 0.0 112.143 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.34 -26.58 65.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.455 1.102 . . . . 0.0 113.784 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.0 m -75.37 158.08 84.01 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.986 1.315 . . . . 0.0 111.667 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.13 147.94 84.61 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.919 2.413 . . . . 0.0 113.038 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 13.2 t -70.43 142.72 51.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.662 1.185 . . . . 0.0 113.919 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -170.96 163.32 5.38 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 127.605 2.362 . . . . 0.0 109.769 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -53.63 -35.32 77.13 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.347 2.031 . . . . 0.0 111.643 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.73 -43.06 85.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.125 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -63.94 -42.61 97.27 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -62.74 -43.56 98.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.827 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.52 -38.47 84.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.731 0.813 . . . . 0.0 111.752 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.51 -39.39 83.67 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.274 0.943 . . . . 0.0 113.007 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.15 -49.82 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 118.869 0.758 . . . . 0.0 110.054 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.51 -40.23 96.52 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.309 1.043 . . . . 0.0 110.963 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.55 -49.79 76.41 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.802 1.183 . . . . 0.0 111.264 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.04 -47.95 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.981 1.312 . . . . 0.0 110.856 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.0 -41.3 82.46 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.673 0.789 . . . . 0.0 112.972 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -64.93 -20.64 66.56 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.698 1.135 . . . . 0.0 112.734 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 7.7 t -85.01 -12.0 54.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.027 1.331 . . . . 0.0 111.875 174.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -134.97 57.96 24.72 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 127.352 2.261 . . . . 0.0 109.707 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.25 -22.88 74.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.926 2.417 . . . . 0.0 114.819 -173.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.22 -51.49 67.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.021 0.928 . . . . 0.0 111.462 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.91 -35.09 62.24 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 36.2 ttp -68.47 -46.88 68.56 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.856 0.753 . . . . 0.0 111.921 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.84 95.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.516 0.726 . . . . 0.0 111.535 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.91 93.17 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.894 -0.504 . . . . 0.0 111.268 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 7.6 t80 -65.78 -53.29 42.38 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.598 0.759 . . . . 0.0 112.025 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -42.29 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.705 1.138 . . . . 0.0 112.931 -176.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -62.19 -17.68 58.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -98.6 -45.99 5.88 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.287 1.435 . . . . 0.0 109.686 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -57.41 -45.6 84.4 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.036 1.735 . . . . 0.0 112.661 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 4.9 t -54.08 -25.43 21.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.345 1.458 . . . . 0.0 114.502 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.85 60.85 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.244 1.018 . . . . 0.0 113.707 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 56.5 tptt . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 126.842 2.057 . . . . 0.0 113.862 -179.226 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -25.04 61.22 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.0 t -54.63 -36.54 64.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.266 1.026 . . . . 0.0 112.662 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.16 -21.31 62.19 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.149 0.98 . . . . 0.0 113.38 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.97 -34.17 71.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.908 -1.12 . . . . 0.0 110.082 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -67.3 -44.25 79.68 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.265 0.626 . . . . 0.0 112.242 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -63.87 -18.31 64.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 125.289 1.436 . . . . 0.0 113.693 179.267 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 121.243 0.544 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.49 143.86 24.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.651 1.58 . . . . 0.0 109.479 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.79 157.95 6.88 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -134.31 159.48 72.15 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 128.74 2.816 . . . . 0.0 108.984 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -57.5 -26.46 71.79 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.567 2.178 . . . . 0.0 114.067 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.71 -35.08 68.1 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.888 1.275 . . . . 0.0 113.509 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -74.76 -28.46 60.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.257 1.023 . . . . 0.0 112.622 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.6 mt -85.71 -39.13 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 125.296 1.438 . . . . 0.0 111.445 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.0 1.48 7.21 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.103 -0.998 . . . . 0.0 113.111 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -82.79 -60.41 2.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.116 1.366 . . . . 0.0 112.805 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -17.31 64.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -9.7 46.65 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.0 pt . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.319 0.118 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 71.2 m -138.12 137.98 22.18 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 124.299 1.04 . . . . 0.0 111.547 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.11 -22.61 40.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.11 2.54 . . . . 0.0 113.033 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.9 p -56.11 -32.46 64.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.301 1.04 . . . . 0.0 112.896 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.34 -33.36 72.29 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.839 1.256 . . . . 0.0 112.915 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.38 -45.17 80.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.364 1.066 . . . . 0.0 110.033 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -66.63 -41.49 88.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.102 0.561 . . . . 0.0 111.443 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.1 t0 -66.08 -38.36 88.08 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.629 -0.669 . . . . 0.0 111.885 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.57 -36.78 73.81 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.65 -1.281 . . . . 0.0 110.775 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.66 -48.78 79.27 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.07 0.85 . . . . 0.0 110.723 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -63.49 -33.65 76.05 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.185 0.902 . . . . 0.0 112.337 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 87.1 m -66.67 -46.93 74.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.303 1.041 . . . . 0.0 110.647 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.66 -39.86 89.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.501 1.12 . . . . 0.0 111.552 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -73.66 12.7 0.59 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.845 1.658 . . . . 0.0 115.456 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 33.3 m -123.9 157.64 62.64 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 125.972 1.709 . . . . 0.0 110.862 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -63.12 150.86 87.43 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.999 2.466 . . . . 0.0 113.677 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 17.7 t -64.33 129.3 39.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.362 1.065 . . . . 0.0 112.25 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -161.96 160.94 21.99 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.923 1.689 . . . . 0.0 110.573 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.54 -35.33 76.27 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.626 2.217 . . . . 0.0 111.727 173.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.4 -43.29 86.22 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 111.182 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.14 -48.98 77.71 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.543 0.737 . . . . 0.0 110.643 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.29 -45.29 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 111.204 176.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -62.44 -40.29 96.1 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 0.0 111.641 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -58.49 -45.43 88.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.955 0.798 . . . . 0.0 111.689 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 86.3 t -55.81 -51.92 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.49 -42.61 99.62 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.431 0.693 . . . . 0.0 111.363 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -58.35 -48.13 81.55 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 111.636 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.1 mt -63.71 -48.66 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.133 0.973 . . . . 0.0 111.422 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.98 -43.29 93.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.263 0.625 . . . . 0.0 111.896 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -67.77 -18.47 64.88 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.296 1.039 . . . . 0.0 112.877 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.0 m -82.88 -4.47 58.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.331 1.052 . . . . 0.0 112.003 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -139.3 56.17 8.36 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 126.571 1.948 . . . . 0.0 110.933 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.22 -37.33 39.26 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.936 3.091 . . . . 0.0 115.901 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -51.35 -50.41 59.55 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.51 1.524 . . . . 0.0 113.25 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.74 -27.26 29.05 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -47.2 16.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.994 1.318 . . . . 0.0 111.906 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.58 -33.03 74.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.119 0.968 . . . . 0.0 112.426 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.47 83.16 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.128 0.571 . . . . 0.0 111.95 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.59 -53.01 8.63 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 113.322 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -43.01 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.239 0.616 . . . . 0.0 112.546 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -61.4 -15.1 33.4 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -97.78 -44.8 6.58 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.9 0.88 . . . . 0.0 109.763 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -59.55 -34.28 72.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.44 1.096 . . . . 0.0 113.102 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 8.9 t -56.62 -28.34 60.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.142 0.977 . . . . 0.0 113.364 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.77 -17.23 64.0 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.018 -1.051 . . . . 0.0 113.636 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 127.0 2.12 . . . . 0.0 111.971 -179.097 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.5 p . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -46.75 -27.36 1.17 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.315 1.846 . . . . 0.0 115.656 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -57.73 -32.56 67.55 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.554 0.742 . . . . 0.0 112.615 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -82.68 -24.53 33.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.337 1.055 . . . . 0.0 113.246 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.2 -36.22 82.91 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.33 -0.856 . . . . 0.0 110.35 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -63.72 -31.91 73.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.826 -0.546 . . . . 0.0 112.222 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.26 -35.66 41.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.351 1.46 . . . . 0.0 112.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.0 mt . . . . . 0 N--CA 1.469 0.525 0 C-N-CA 123.881 0.872 . . . . 0.0 112.742 177.199 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.3 tpp -149.49 164.26 35.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.188 1.395 . . . . 0.0 111.268 -177.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.93 144.02 9.29 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.726 1.211 . . . . 0.0 111.874 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.2 p -118.63 159.37 44.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 112.973 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.24 -24.9 76.43 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.417 2.078 . . . . 0.0 113.101 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.52 -32.0 73.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.526 1.13 . . . . 0.0 111.919 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.18 -28.49 63.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.436 1.095 . . . . 0.0 111.684 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -77.96 -46.37 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.271 1.028 . . . . 0.0 111.316 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.67 -3.63 12.72 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.75 -59.85 2.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.711 1.604 . . . . 0.0 112.827 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -26.7 65.32 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -172.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.84 -10.07 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -176.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.5 pt . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.3 m -128.24 138.46 33.05 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.146 0.978 . . . . 0.0 111.329 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 -24.66 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.139 2.559 . . . . 0.0 113.925 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 26.9 p -63.03 -34.04 76.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.913 1.285 . . . . 0.0 113.426 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.52 80.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.532 0.733 . . . . 0.0 111.537 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.5 -33.18 70.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.737 0.815 . . . . 0.0 111.811 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -69.35 -40.56 77.44 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.394 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.71 -35.42 80.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 111.188 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.29 -50.5 73.4 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.409 1.083 . . . . 0.0 109.532 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -46.86 82.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 113.048 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -66.08 -30.33 70.82 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.385 0.993 . . . . 0.0 112.521 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 58.2 m -70.31 -44.39 68.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.913 0.885 . . . . 0.0 110.376 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.45 -37.47 86.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.395 1.878 . . . . 0.0 113.367 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -62.87 -24.17 67.68 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.6 m -80.44 156.48 73.48 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.3 1.04 . . . . 0.0 111.021 175.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.37 147.44 94.92 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.843 2.362 . . . . 0.0 112.819 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.2 t -72.65 145.33 47.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 93.6 p -170.61 161.15 6.02 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 128.426 2.69 . . . . 0.0 108.888 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.68 -33.53 80.26 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.209 1.94 . . . . 0.0 111.805 174.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.35 -42.52 83.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.856 1.262 . . . . 0.0 111.191 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.63 -43.22 94.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.523 0.729 . . . . 0.0 110.551 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -61.58 -41.64 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.032 0.933 . . . . 0.0 111.43 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -56.0 -37.91 69.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.389 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -64.58 -43.63 93.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.663 1.12 . . . . 0.0 111.659 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 46.2 t -62.39 -43.57 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.234 0.925 . . . . 0.0 110.346 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.52 -41.25 94.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.778 0.831 . . . . 0.0 110.927 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.3 -45.89 89.27 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.155 0.889 . . . . 0.0 111.139 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -45.91 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.1 1.36 . . . . 0.0 110.448 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.62 -43.31 80.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.986 0.914 . . . . 0.0 111.894 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -65.37 -16.79 63.96 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.904 1.229 . . . . 0.0 113.41 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.2 m -87.35 -8.66 56.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.844 1.258 . . . . 0.0 111.987 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.84 54.67 5.79 Favored Pre-proline 0 CA--C 1.558 1.252 0 C-N-CA 128.117 2.567 . . . . 0.0 109.602 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.94 -23.14 71.69 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.213 2.608 . . . . 0.0 115.836 -172.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -48.74 -47.07 41.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.8 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.8 -31.34 25.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 11.1 ptm -78.9 -37.36 40.18 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.617 1.099 . . . . 0.0 112.949 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.25 84.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.823 0.738 . . . . 0.0 112.343 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.0 90.63 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 122.024 -0.423 . . . . 0.0 110.94 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.3 t80 -68.63 -51.47 41.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.876 1.27 . . . . 0.0 113.498 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -37.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-N 119.595 1.089 . . . . 0.0 112.757 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.49 -24.93 34.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.703 1.201 . . . . 0.0 113.218 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -98.9 -46.04 5.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.035 1.334 . . . . 0.0 111.109 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -32.96 64.87 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.674 1.189 . . . . 0.0 112.565 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.4 t -51.98 -29.77 22.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.316 1.046 . . . . 0.0 112.968 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.66 63.9 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.961 1.304 . . . . 0.0 113.862 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 127.325 2.25 . . . . 0.0 113.425 178.486 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.286 0.089 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -45.58 -35.67 4.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.271 1.428 . . . . 0.0 114.696 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -62.06 -29.95 70.65 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.304 1.042 . . . . 0.0 113.267 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -83.31 -25.58 31.38 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.977 -1.077 . . . . 0.0 112.222 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.81 -28.38 68.96 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.393 -0.817 . . . . 0.0 111.453 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -67.29 -41.43 85.43 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.621 0.646 . . . . 0.0 110.297 171.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -67.61 -28.61 67.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.169 1.787 . . . . 0.0 113.584 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 mt . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 123.834 0.854 . . . . 0.0 112.343 175.18 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.0 tpp -151.26 154.41 36.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.832 1.253 . . . . 0.0 112.322 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.84 152.26 7.52 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -128.47 168.9 14.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 127.418 2.287 . . . . 0.0 111.277 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -58.05 -27.73 80.68 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.321 2.014 . . . . 0.0 112.459 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.13 -34.0 69.78 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.734 1.613 . . . . 0.0 112.732 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.15 -38.97 66.04 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.389 1.076 . . . . 0.0 111.367 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.69 -42.74 62.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.727 1.211 . . . . 0.0 111.24 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.51 -7.93 52.51 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.972 -1.08 . . . . 0.0 113.499 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -53.32 5.91 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.612 1.165 . . . . 0.0 113.493 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -22.01 65.61 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.37 48.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -176.663 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 49.2 pt . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.4 m -127.73 139.52 35.53 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 124.101 0.961 . . . . 0.0 111.773 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.21 -24.33 44.24 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.047 2.498 . . . . 0.0 113.071 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.9 p -55.81 -35.36 66.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 0.0 112.638 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.67 69.09 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.344 1.057 . . . . 0.0 113.055 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.44 -41.64 76.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.819 0.847 . . . . 0.0 110.016 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -68.68 -39.98 80.33 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.854 -0.529 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.563 -0.71 . . . . 0.0 112.173 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.94 -49.33 72.98 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.069 -1.019 . . . . 0.0 109.254 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.98 -45.83 91.43 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -61.97 -29.79 70.49 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.072 0.851 . . . . 0.0 112.021 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 60.3 m -78.65 -42.38 28.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.043 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 37.1 tp -57.68 -35.72 70.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.676 1.19 . . . . 0.0 111.718 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.82 -16.06 56.76 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.4 m -66.56 162.75 47.46 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.656 1.182 . . . . 0.0 111.885 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.31 161.34 43.53 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.296 1.997 . . . . 0.0 111.743 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 47.0 m -59.15 102.75 0.14 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.147 1.379 . . . . 0.0 110.874 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 82.2 p -159.27 156.98 26.92 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -174.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.24 -17.9 55.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.644 2.23 . . . . 0.0 112.489 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -64.5 -49.11 72.65 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.056 -1.027 . . . . 0.0 110.972 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.09 -35.72 80.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.804 0.729 . . . . 0.0 111.906 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -59.27 -50.5 73.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.033 1.333 . . . . 0.0 109.855 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -65.4 -42.67 92.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.599 0.76 . . . . 0.0 111.871 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.28 -42.82 99.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.789 1.177 . . . . 0.0 113.27 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 55.6 t -61.73 -42.07 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.113 1.324 . . . . 0.0 110.022 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.19 -38.99 91.21 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.584 0.629 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.88 -45.9 90.37 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.0 0.818 . . . . 0.0 110.885 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.74 -43.22 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 110.62 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.83 -32.39 70.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.019 0.928 . . . . 0.0 112.794 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -61.92 -24.37 66.93 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.729 1.149 . . . . 0.0 112.542 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 71.2 m -85.79 -3.81 59.0 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.503 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -138.55 54.8 7.27 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.069 2.148 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.46 -32.6 74.09 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.092 2.528 . . . . 0.0 116.315 -175.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -48.98 -49.12 42.17 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.649 1.579 . . . . 0.0 113.629 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.54 -31.21 26.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.85 -46.23 63.05 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.419 0.687 . . . . 0.0 111.678 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.85 98.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.145 0.978 . . . . 0.0 112.934 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.58 91.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.027 0.531 . . . . 0.0 111.441 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.2 t80 -69.64 -52.79 22.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.809 1.244 . . . . 0.0 112.822 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -35.03 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 118.769 0.713 . . . . 0.0 112.255 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.11 -30.33 59.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.06 0.846 . . . . 0.0 112.935 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -87.75 -42.11 12.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.509 0.724 . . . . 0.0 110.859 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -64.33 -33.1 75.06 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.3 t -59.03 -31.68 69.05 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 119.096 0.862 . . . . 0.0 112.668 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.43 -9.91 38.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.378 1.071 . . . . 0.0 113.641 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 N--CA 1.477 0.877 0 C-N-CA 127.521 2.328 . . . . 0.0 112.378 179.563 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 121.322 0.582 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -37.25 -44.39 0.58 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.164 2.186 . . . . 0.0 116.061 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t -56.61 -34.7 67.5 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.272 1.029 . . . . 0.0 113.539 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.96 -25.12 18.15 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 112.112 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -35.08 79.09 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.68 0.673 . . . . 0.0 110.499 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -58.08 -29.52 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.214 0.915 . . . . 0.0 112.851 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -81.66 -18.8 43.31 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.37 1.468 . . . . 0.0 114.337 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.077 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -150.12 142.01 23.82 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.816 0.846 . . . . 0.0 112.449 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.04 159.37 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.521 0.728 . . . . 0.0 111.919 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -119.37 151.84 51.85 Favored Pre-proline 0 N--CA 1.47 0.555 0 C-N-CA 126.228 1.811 . . . . 0.0 110.565 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -54.05 -24.91 34.5 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.023 2.482 . . . . 0.0 113.547 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.56 -35.19 71.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 112.809 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -73.77 -33.6 64.33 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.119 0.968 . . . . 0.0 111.486 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.53 -40.67 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.957 1.303 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.13 -4.77 51.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.873 -1.142 . . . . 0.0 113.242 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -54.54 5.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.588 1.155 . . . . 0.0 112.236 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -19.68 66.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -9.66 47.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 4.6 m -155.2 148.76 18.64 Favored Pre-proline 0 N--CA 1.482 1.158 0 CA-C-N 119.726 1.148 . . . . 0.0 112.555 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.84 -21.34 33.28 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.518 2.812 . . . . 0.0 113.947 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 24.1 p -62.98 -34.48 77.62 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.124 -0.985 . . . . 0.0 112.481 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.17 72.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.07 0.948 . . . . 0.0 112.583 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.9 -41.51 87.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.287 1.035 . . . . 0.0 110.301 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.63 85.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.277 0.631 . . . . 0.0 111.08 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.3 t0 -66.82 -36.59 82.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.01 0.924 . . . . 0.0 110.835 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.29 -48.87 76.28 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.137 -0.977 . . . . 0.0 109.355 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.82 -44.63 82.23 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.644 -0.694 . . . . 0.0 112.253 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -63.87 -36.12 82.89 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.855 1.207 . . . . 0.0 111.94 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 56.7 m -70.4 -33.43 71.36 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.664 1.186 . . . . 0.0 111.707 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.19 -44.48 95.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 110.796 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.23 -24.76 67.78 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 152.11 67.21 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.28 153.31 66.62 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.799 2.333 . . . . 0.0 111.222 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 20.1 m -55.6 113.89 1.64 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.271 1.428 . . . . 0.0 112.726 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 97.6 p -160.84 158.33 24.31 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 124.758 1.223 . . . . 0.0 112.444 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.16 -24.42 65.97 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.051 1.834 . . . . 0.0 111.914 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.37 -39.22 92.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.794 0.837 . . . . 0.0 110.54 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.84 -46.59 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.797 -0.565 . . . . 0.0 109.894 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.65 -44.21 90.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.244 0.618 . . . . 0.0 111.101 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -63.34 -40.55 97.6 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.39 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -66.12 -39.9 90.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.95 1.25 . . . . 0.0 112.045 176.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 66.6 t -59.3 -47.12 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.111 0.868 . . . . 0.0 109.303 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.8 -48.38 81.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.319 0.648 . . . . 0.0 111.19 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.2 -48.27 79.21 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.551 1.069 . . . . 0.0 112.053 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.7 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.968 1.307 . . . . 0.0 110.875 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.86 -43.68 71.38 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -67.43 -17.05 64.56 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.78 1.232 . . . . 0.0 114.211 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 12.2 t -72.09 -26.27 62.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 111.631 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.75 68.65 8.35 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 127.623 2.369 . . . . 0.0 109.173 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.07 -8.02 21.52 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.489 2.792 . . . . 0.0 115.887 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.94 -58.64 4.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.129 1.771 . . . . 0.0 111.367 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.77 -29.65 70.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.77 1.628 . . . . 0.0 113.94 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 46.7 ttp -76.52 -46.17 27.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.553 -0.717 . . . . 0.0 111.202 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.9 78.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.445 1.098 . . . . 0.0 111.565 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.25 96.82 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.624 0.77 . . . . 0.0 111.554 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 33.5 t80 -70.84 -50.77 31.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 113.304 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -33.63 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.926 -1.109 . . . . 0.0 113.594 -176.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.54 -29.8 62.34 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -94.65 -31.59 13.77 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.632 0.651 . . . . 0.0 112.136 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -67.34 -37.55 83.43 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.131 0.972 . . . . 0.0 113.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.7 t -56.3 -34.86 66.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.38 1.072 . . . . 0.0 112.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.78 -16.95 62.51 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 113.674 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 126.441 1.896 . . . . 0.0 112.414 178.411 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.3 p . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 110.718 -0.105 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -30.87 -46.08 0.08 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.768 2.427 . . . . 0.0 116.944 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.4 p -59.4 -34.5 72.52 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.73 -22.38 24.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.887 0.875 . . . . 0.0 111.844 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 mt -61.81 -36.9 82.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.395 -0.815 . . . . 0.0 110.224 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -62.01 -27.06 68.6 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.82 -30.96 15.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.127 1.771 . . . . 0.0 112.749 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 125.044 1.338 . . . . 0.0 114.302 -179.466 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.7 tpp -151.4 159.76 44.08 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.65 1.58 . . . . 0.0 111.046 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 40.7 mt -72.03 162.02 30.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.246 1.018 . . . . 0.0 112.694 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -131.13 164.69 40.52 Favored Pre-proline 0 N--CA 1.472 0.65 0 C-N-CA 127.302 2.241 . . . . 0.0 110.298 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.94 -25.99 46.8 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.737 2.291 . . . . 0.0 113.966 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.27 -35.6 72.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.07 1.348 . . . . 0.0 112.549 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -73.52 -28.86 62.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.663 1.185 . . . . 0.0 111.775 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 7.5 mt -83.17 -41.43 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.666 1.187 . . . . 0.0 111.364 -178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.34 -3.0 34.46 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.071 -1.018 . . . . 0.0 112.893 177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.48 -59.35 2.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.759 1.624 . . . . 0.0 111.896 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -20.09 65.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -9.7 47.71 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.119 -0.988 . . . . 0.0 113.562 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo . . . . . 0 CA--C 1.54 0.799 0 N-CA-C 114.886 1.071 . . . . 0.0 114.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -72.57 -24.64 61.13 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -149.07 176.52 10.4 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.816 1.246 . . . . 0.0 113.827 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 37.0 m -77.54 172.86 12.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.351 1.461 . . . . 0.0 112.905 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.1 pt -135.45 175.35 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 127.442 2.297 . . . . 0.0 110.217 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.8 m -133.99 142.34 43.02 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 124.252 1.021 . . . . 0.0 112.093 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.6 -15.22 37.57 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.602 2.868 . . . . 0.0 113.63 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 23.4 p -61.25 -35.65 77.84 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.112 -0.992 . . . . 0.0 112.681 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.85 75.21 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.961 0.904 . . . . 0.0 112.4 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.62 -40.47 88.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 0.0 110.222 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -70.04 -37.54 75.6 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.815 -0.553 . . . . 0.0 110.954 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.02 -37.77 88.72 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.485 0.66 . . . . 0.0 110.814 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.99 -46.32 91.24 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.932 -1.105 . . . . 0.0 109.829 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.57 -44.79 96.38 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.88 0.764 . . . . 0.0 112.583 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -65.01 -33.82 76.97 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.466 1.03 . . . . 0.0 111.801 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 81.4 m -70.92 -43.01 69.15 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.732 1.213 . . . . 0.0 111.421 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.68 -41.64 81.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.307 1.443 . . . . 0.0 112.421 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -68.8 -13.5 62.44 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -67.4 156.34 88.72 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 119.361 0.982 . . . . 0.0 112.349 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.6 158.59 57.11 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.714 2.276 . . . . 0.0 111.826 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.8 m -55.87 117.79 4.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.409 1.484 . . . . 0.0 113.435 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.7 p -161.26 156.39 20.54 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 124.716 1.206 . . . . 0.0 112.319 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.49 -23.98 57.08 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.108 1.872 . . . . 0.0 112.094 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -65.05 -35.8 82.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.144 0.978 . . . . 0.0 111.145 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.6 -44.93 96.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.576 0.75 . . . . 0.0 110.837 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.51 -46.52 88.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.618 0.767 . . . . 0.0 110.679 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -60.13 -44.32 95.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.776 0.431 . . . . 0.0 111.589 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.65 -41.49 99.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.073 0.852 . . . . 0.0 112.813 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.9 t -60.25 -45.93 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.475 1.034 . . . . 0.0 110.02 175.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.61 -44.51 96.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.213 0.605 . . . . 0.0 111.465 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.03 -47.79 82.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.897 0.879 . . . . 0.0 111.378 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -47.47 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.828 1.251 . . . . 0.0 111.051 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.43 -43.2 91.2 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -58.55 -23.83 59.33 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 20.6 t -72.08 -20.96 61.57 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.99 . . . . 0.0 112.923 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.12 67.21 77.02 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 126.541 1.936 . . . . 0.0 112.591 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.42 -37.2 19.13 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 124.749 3.633 . . . . 0.0 116.036 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -44.26 -55.67 4.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.915 1.686 . . . . 0.0 113.929 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.78 -34.19 24.83 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 5.5 ptm -71.94 -34.45 69.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.313 0.961 . . . . 0.0 113.239 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.64 79.04 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.449 0.7 . . . . 0.0 111.005 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.39 92.12 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.713 -0.617 . . . . 0.0 110.674 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.51 -53.05 58.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.522 1.129 . . . . 0.0 112.347 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.93 -44.26 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.452 1.024 . . . . 0.0 110.748 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.52 -39.36 79.91 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.286 -0.884 . . . . 0.0 112.012 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -70.97 -40.35 71.98 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.41 -0.806 . . . . 0.0 111.704 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -69.8 -42.36 73.84 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.869 1.268 . . . . 0.0 114.304 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.8 t -57.98 -33.78 69.26 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.879 1.218 . . . . 0.0 112.852 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.75 -11.28 60.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.966 1.306 . . . . 0.0 114.342 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -133.76 9.13 3.89 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 127.17 2.188 . . . . 0.0 113.47 -176.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.04 140.77 58.88 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.315 1.846 . . . . 0.0 112.437 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 86.2 t -134.58 110.64 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.128 1.371 . . . . 0.0 109.188 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -94.46 8.72 41.11 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.93 -179.47 6.63 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -132.34 151.26 77.98 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 125.176 1.391 . . . . 0.0 112.433 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -74.23 175.87 10.36 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.077 3.184 . . . . 0.0 113.529 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -64.55 93.47 0.14 Allowed Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.708 1.623 . . . . 0.0 113.947 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.62 171.94 11.21 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.109 1.763 . . . . 0.0 112.21 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 125.006 1.323 . . . . 0.0 111.727 -177.601 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.54 0.8 0 N-CA-C 113.995 0.729 . . . . 0.0 113.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -144.25 -174.04 4.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.606 1.962 . . . . 0.0 111.177 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 94.3 p -134.76 166.24 23.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.495 1.118 . . . . 0.0 113.284 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.86 7.03 0.58 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.607 1.563 . . . . 0.0 113.04 173.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -102.16 -14.54 17.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.184 1.394 . . . . 0.0 112.04 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.2 p -80.04 167.14 20.81 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.397 1.479 . . . . 0.0 113.77 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -44.26 -37.87 3.49 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.942 1.697 . . . . 0.0 115.315 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -58.59 -26.96 64.19 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.17 -26.44 14.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.055 0.942 . . . . 0.0 111.244 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.81 -30.88 71.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.941 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -57.35 -38.99 75.02 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.858 1.208 . . . . 0.0 111.954 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.73 -30.49 71.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.08 1.352 . . . . 0.0 113.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.14 -14.96 60.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.529 1.132 . . . . 0.0 113.886 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.67 155.67 81.15 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 124.511 1.124 . . . . 0.0 112.648 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.68 43.65 0.68 Allowed 'Trans proline' 0 CA--C 1.546 1.105 1 C-N-CA 125.547 4.165 . . . . 0.0 115.141 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.55 -5.3 5.24 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 119.835 -1.79 . . . . 0.0 114.221 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -124.28 14.92 9.01 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.615 2.366 . . . . 0.0 113.315 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -142.28 178.79 7.33 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.643 1.177 . . . . 0.0 112.647 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.25 114.09 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 123.47 1.605 . . . . 0.0 107.443 173.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.4 mt -103.96 -67.92 0.87 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 111.57 -2.559 . . . . 0.0 111.16 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 5.2 m -62.96 150.28 88.41 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 126.86 2.064 . . . . 0.0 113.582 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -77.69 -0.81 10.99 Favored 'Trans proline' 0 CA--C 1.546 1.089 0 C-N-CA 123.823 3.015 . . . . 0.0 114.25 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.65 155.78 63.34 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 125.863 1.665 . . . . 0.0 112.353 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -77.91 -169.41 0.75 Allowed 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 124.305 3.337 . . . . 0.0 112.821 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 12.2 m -50.36 -17.53 0.48 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.183 2.193 . . . . 0.0 116.109 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -64.91 -1.78 2.21 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.064 1.746 . . . . 0.0 114.434 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.48 20.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.359 2.264 . . . . 0.0 115.355 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 7.4 mtt -70.38 9.56 0.59 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.97 -28.08 61.92 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.173 1.789 . . . . 0.0 114.385 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.16 17.86 2.26 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.838 1.255 . . . . 0.0 113.834 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -149.86 138.61 20.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.043 1.337 . . . . 0.0 111.908 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 133.22 19.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.6 1.56 . . . . 0.0 110.207 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 164.55 3.62 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 69.0 m -125.85 151.83 71.73 Favored Pre-proline 0 N--CA 1.473 0.68 0 C-N-CA 126.845 2.058 . . . . 0.0 110.792 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -61.98 -22.28 73.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.326 2.684 . . . . 0.0 115.019 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.55 -31.49 68.02 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.07 0.948 . . . . 0.0 112.924 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.26 -28.39 27.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 111.988 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.4 mt -73.21 -35.21 46.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 109.884 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.47 -1.31 26.57 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.25 -1.531 . . . . 0.0 113.431 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -46.52 13.05 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.883 -1.135 . . . . 0.0 113.527 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -22.71 61.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -16.81 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -60.89 -21.49 63.37 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.5 -7.63 48.73 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.12 1.368 . . . . 0.0 113.93 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.73 118.41 16.91 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 125.38 1.472 . . . . 0.0 112.917 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -77.73 58.32 6.38 Favored 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 124.787 3.658 . . . . 0.0 113.144 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.27 173.06 18.59 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.538 1.542 . . . . 0.0 114.066 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -81.98 -164.24 0.26 Allowed 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 124.77 3.647 . . . . 0.0 111.574 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 126.564 1.946 . . . . 0.0 111.951 -179.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 CA--C 1.54 0.815 0 N-CA-C 114.035 0.744 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -151.03 173.64 14.09 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.026 2.13 . . . . 0.0 109.924 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -75.6 55.89 0.86 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.913 1.685 . . . . 0.0 112.559 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 49.7 m -136.35 157.96 45.56 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.933 2.093 . . . . 0.0 111.503 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 31.5 pt -144.59 171.75 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.51 1.524 . . . . 0.0 111.745 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.8 m -125.03 140.08 35.09 Favored Pre-proline 0 N--CA 1.473 0.725 0 C-N-CA 125.541 1.536 . . . . 0.0 109.98 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.82 -22.1 49.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.409 2.739 . . . . 0.0 114.223 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 30.5 p -59.5 -35.64 74.52 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.65 86.58 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.68 0.792 . . . . 0.0 112.074 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.01 -47.18 72.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.279 1.032 . . . . 0.0 109.516 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -61.58 -39.46 91.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.071 -0.393 . . . . 0.0 111.575 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.86 -35.18 78.08 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.717 -0.614 . . . . 0.0 112.069 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.19 -49.09 71.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.99 -37.46 74.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.014 0.926 . . . . 0.0 113.404 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -74.69 -31.29 61.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.979 1.263 . . . . 0.0 112.196 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.5 m -73.09 -45.3 57.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.689 1.196 . . . . 0.0 111.674 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.34 -36.26 73.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.984 1.714 . . . . 0.0 114.397 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -67.72 -19.64 65.17 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 74.3 m -78.86 163.01 62.78 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 119.128 0.876 . . . . 0.0 112.108 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.09 146.12 18.19 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.1 3.2 . . . . 0.0 114.383 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.4 p -72.49 135.39 45.67 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 112.957 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 75.7 p -164.77 159.09 15.13 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.708 1.603 . . . . 0.0 110.754 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.25 -33.43 90.94 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.571 2.181 . . . . 0.0 111.732 174.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -68.08 -43.01 79.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.471 1.108 . . . . 0.0 111.369 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -67.29 -40.25 86.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.562 -0.711 . . . . 0.0 111.19 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -58.39 -48.72 79.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.714 1.206 . . . . 0.0 109.579 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.35 -38.76 88.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.66 0.784 . . . . 0.0 111.785 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.79 -44.77 96.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.795 1.18 . . . . 0.0 112.014 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 91.6 t -64.12 -41.1 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.861 0.755 . . . . 0.0 110.178 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.59 -37.86 82.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.968 0.804 . . . . 0.0 111.298 174.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -62.06 -46.32 89.65 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.979 1.263 . . . . 0.0 110.593 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.59 -45.62 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.16 1.384 . . . . 0.0 110.608 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.65 -44.05 78.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.497 1.119 . . . . 0.0 112.52 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.83 -22.42 66.91 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.493 1.042 . . . . 0.0 112.922 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 8.9 t -84.0 -14.46 50.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.031 1.332 . . . . 0.0 112.093 174.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -137.08 58.4 17.94 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 127.215 2.206 . . . . 0.0 109.595 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.07 -14.37 44.84 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.178 2.586 . . . . 0.0 117.004 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -56.16 -44.39 79.25 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.47 1.486 . . . . 0.0 112.753 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 1.5 pp -80.97 -27.26 36.06 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.3 ttp -80.04 -45.83 17.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.658 0.783 . . . . 0.0 112.239 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.71 88.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 111.471 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.28 91.09 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.922 -0.486 . . . . 0.0 111.047 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.7 -52.9 62.41 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.982 0.913 . . . . 0.0 111.432 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.4 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.272 0.942 . . . . 0.0 112.793 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -55.5 -27.8 50.74 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.729 1.149 . . . . 0.0 113.024 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.77 -46.6 6.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.421 1.088 . . . . 0.0 111.367 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.97 67.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.364 1.466 . . . . 0.0 114.125 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 13.1 t -59.9 -34.32 73.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.831 1.252 . . . . 0.0 112.203 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.07 -11.0 58.24 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.442 1.097 . . . . 0.0 113.772 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -126.27 14.78 7.78 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.176 2.191 . . . . 0.0 112.867 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.98 44.53 0.48 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.709 2.004 . . . . 0.0 113.52 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 14.5 p -133.23 110.51 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 128.101 2.56 . . . . 0.0 109.141 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -155.94 175.63 13.7 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.903 1.281 . . . . 0.0 112.453 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 9.5 p30 -136.88 148.23 46.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.125 1.77 . . . . 0.0 110.288 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -74.82 130.99 80.07 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 123.039 0.536 . . . . 0.0 111.183 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.71 169.71 21.71 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.663 2.909 . . . . 0.0 113.449 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -151.91 35.55 0.85 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.26 1.409 . . . . 0.0 113.642 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 95.4 mtp -66.82 165.51 15.09 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.157 1.383 . . . . 0.0 113.29 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 125.718 1.607 . . . . 0.0 111.122 178.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 CA--C 1.538 0.695 0 N-CA-C 113.894 0.69 . . . . 0.0 113.894 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -146.65 174.74 11.17 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.068 1.747 . . . . 0.0 111.814 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.9 p -138.49 94.22 2.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 123.497 1.618 . . . . 0.0 113.241 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -117.26 19.3 14.2 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.278 -1.783 . . . . 0.0 107.847 171.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . 0.31 8.6 tt0 49.04 40.97 18.42 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 130.436 3.495 . . . . 0.0 114.32 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.7 p -91.66 178.87 5.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 128.608 2.763 . . . . 0.0 111.851 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -44.85 -43.23 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.9 p -66.55 -32.84 74.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.178 0.991 . . . . 0.0 113.67 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -80.09 -26.78 39.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.232 1.413 . . . . 0.0 112.444 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.29 -33.9 77.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.188 0.595 . . . . 0.0 111.522 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -59.51 -33.99 72.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.792 0.723 . . . . 0.0 112.721 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -66.59 -35.62 80.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.515 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.3 mt -74.7 -29.39 61.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.35 1.06 . . . . 0.0 112.786 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.2 mt -74.89 156.34 86.36 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.1 1.36 . . . . 0.0 113.126 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.01 48.47 1.72 Allowed 'Trans proline' 0 CA--C 1.55 1.3 1 C-N-CA 125.473 4.115 . . . . 0.0 114.085 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -50.52 -27.71 7.15 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.73 2.012 . . . . 0.0 116.072 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -95.31 2.18 54.66 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.493 1.517 . . . . 0.0 113.848 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -122.2 17.91 10.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.297 1.439 . . . . 0.0 114.01 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.5 m -69.44 -12.84 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.205 1.402 . . . . 0.0 114.358 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.29 -4.63 0.23 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.65 2.38 . . . . 0.0 117.043 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.0 m -59.54 150.19 66.96 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 124.815 1.246 . . . . 0.0 111.894 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.76 -29.04 51.26 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.505 2.137 . . . . 0.0 113.547 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 91.5 mt -144.5 107.86 4.78 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 126.23 1.812 . . . . 0.0 109.902 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.34 -28.89 82.06 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.866 3.044 . . . . 0.0 114.955 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 35.9 t -154.6 169.89 22.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.982 2.113 . . . . 0.0 110.19 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -130.37 18.95 5.32 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.615 1.566 . . . . 0.0 113.574 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.56 -8.08 3.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 96.2 mmm -66.54 16.67 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.428 1.891 . . . . 0.0 115.956 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.71 -28.21 24.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.784 2.034 . . . . 0.0 113.226 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -125.46 6.64 7.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.527 1.531 . . . . 0.0 113.256 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.5 132.71 24.72 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.844 2.058 . . . . 0.0 109.244 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 32.3 tpp -146.42 149.03 32.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.728 1.211 . . . . 0.0 110.858 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.83 150.61 23.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.481 1.512 . . . . 0.0 113.311 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.2 m -125.93 167.37 17.05 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 127.266 2.226 . . . . 0.0 110.554 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -54.75 -26.68 48.5 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.251 1.967 . . . . 0.0 113.457 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.59 -34.93 69.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.325 1.45 . . . . 0.0 112.89 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -75.0 -28.68 60.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.573 1.149 . . . . 0.0 112.079 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.28 -45.31 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.32 1.448 . . . . 0.0 111.107 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.44 -3.54 11.69 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.87 -1.144 . . . . 0.0 113.003 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -46.28 16.53 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.098 1.359 . . . . 0.0 114.42 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -27.19 63.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -174.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -14.73 33.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -61.38 -26.39 67.81 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -80.84 1.17 31.81 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -57.93 126.16 76.01 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 121.106 -0.997 . . . . 0.0 111.255 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.23 -8.46 23.49 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 124.057 3.171 . . . . 0.0 115.746 -176.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.44 -179.28 50.5 Favored Glycine 0 CA--C 1.542 1.774 0 CA-C-N 119.593 1.088 . . . . 0.0 114.268 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -74.22 -24.52 14.51 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.744 2.963 . . . . 0.0 114.599 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.471 0.623 0 C-N-CA 124.168 0.987 . . . . 0.0 113.018 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 114.56 0.946 . . . . 0.0 114.56 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 36.4 t30 -55.07 -19.51 7.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.24 1.416 . . . . 0.0 113.569 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -63.65 -22.27 66.81 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.941 1.697 . . . . 0.0 113.656 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 98.3 p -140.28 -0.41 1.62 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 117.749 2.499 . . . . 0.0 117.749 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 1.8 pp -142.98 171.31 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.502 1.521 . . . . 0.0 111.107 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 32.3 t -150.17 139.03 12.78 Favored Pre-proline 0 N--CA 1.474 0.751 0 O-C-N 121.484 -0.76 . . . . 0.0 112.481 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -65.67 -21.92 58.32 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.631 2.887 . . . . 0.0 113.69 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.2 p -63.62 -32.83 74.43 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.658 1.117 . . . . 0.0 112.519 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.8 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.078 0.951 . . . . 0.0 112.453 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.14 -36.73 80.14 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 110.222 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.46 -41.4 69.47 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.68 -0.637 . . . . 0.0 110.608 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.0 -32.94 74.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.577 1.151 . . . . 0.0 111.683 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.28 -49.89 73.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.632 1.173 . . . . 0.0 109.998 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.06 -44.64 94.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.907 -0.495 . . . . 0.0 111.901 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -65.73 -30.85 71.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.417 1.008 . . . . 0.0 112.171 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 94.4 m -68.49 -43.66 76.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.993 0.917 . . . . 0.0 110.311 174.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.44 -42.9 78.89 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.56 1.073 . . . . 0.0 111.59 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.07 -18.48 60.8 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 67.3 m -71.57 158.07 88.62 Favored Pre-proline 0 N--CA 1.476 0.868 0 C-N-CA 124.019 0.928 . . . . 0.0 112.718 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.5 157.5 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.46 2.107 . . . . 0.0 110.73 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 23.3 t -59.03 122.44 13.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.375 0.67 . . . . 0.0 111.733 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 98.7 p -162.91 158.83 18.9 Favored Pre-proline 0 N--CA 1.472 0.644 0 C-N-CA 125.169 1.388 . . . . 0.0 112.174 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.08 -27.78 73.82 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.911 1.74 . . . . 0.0 111.778 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.01 -43.51 92.27 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.8 0.84 . . . . 0.0 110.861 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.55 -47.37 84.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.582 0.628 . . . . 0.0 110.561 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.43 -44.76 89.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.322 0.649 . . . . 0.0 111.333 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -64.16 -41.65 97.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.433 0.693 . . . . 0.0 111.391 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.02 -41.1 97.71 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.377 0.989 . . . . 0.0 112.624 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 69.2 t -58.94 -47.3 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.126 0.875 . . . . 0.0 109.739 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.81 -44.24 97.14 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.259 0.624 . . . . 0.0 111.509 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -58.12 -50.58 73.01 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.92 0.888 . . . . 0.0 111.579 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.04 -47.47 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.144 1.377 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.0 -51.08 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.418 0.687 . . . . 0.0 111.191 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.04 -21.43 66.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.5 m -78.95 -9.62 59.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.961 0.905 . . . . 0.0 112.366 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -137.76 60.2 23.48 Favored Pre-proline 0 CA--C 1.558 1.26 0 C-N-CA 126.579 1.952 . . . . 0.0 110.873 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.56 -38.5 28.3 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.078 3.186 . . . . 0.0 116.35 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -52.69 -48.07 66.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.534 1.534 . . . . 0.0 113.266 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.69 -27.83 28.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.2 ppp? -79.86 -38.61 32.4 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.559 1.072 . . . . 0.0 113.057 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -69.49 -38.77 77.82 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.443 0.565 . . . . 0.0 112.045 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.42 75.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.478 0.711 . . . . 0.0 112.084 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 34.9 t80 -76.34 -53.19 8.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.039 1.336 . . . . 0.0 112.758 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -42.13 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.066 -1.021 . . . . 0.0 113.407 -177.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -59.06 -21.1 58.61 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -99.05 -36.51 9.68 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.758 0.708 . . . . 0.0 112.008 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -36.14 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.722 1.209 . . . . 0.0 112.346 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 9.6 t -55.57 -30.85 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.859 1.263 . . . . 0.0 113.524 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.98 -14.57 54.98 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2108 ' ' LYS . . . . . 0.418 ' C ' ' H ' ' A' 2110 ' ' VAL . 35.5 mmtp -117.17 7.02 12.89 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.669 1.988 . . . . 0.0 113.17 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.36 24.06 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2110 ' ' VAL . . . . . 0.418 ' H ' ' C ' ' A' 2108 ' ' LYS . 7.8 p -122.0 8.31 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 128.891 2.877 . . . . 0.0 111.253 177.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -57.1 -22.17 37.62 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.263 2.225 . . . . 0.0 116.998 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 7.1 p30 -47.09 119.11 2.4 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.194 1.397 . . . . 0.0 113.878 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -157.61 175.6 3.14 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 127.817 2.447 . . . . 0.0 109.382 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.59 142.06 25.07 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.202 2.601 . . . . 0.0 114.156 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -74.43 53.84 2.36 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.957 1.741 . . . . 0.0 114.651 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 62.2 ttp -55.96 140.11 44.15 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.155 1.782 . . . . 0.0 113.546 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 127.277 2.231 . . . . 0.0 114.752 178.486 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 N-CA-C 114.122 0.778 . . . . 0.0 114.122 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -151.16 -179.73 7.57 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.471 1.508 . . . . 0.0 112.274 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.425 ' C ' ' H ' ' B' ' 17' ' ' GLU . 92.2 p -142.73 167.08 22.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.759 1.624 . . . . 0.0 111.325 178.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -66.55 12.92 0.06 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.537 1.135 . . . . 0.0 113.543 173.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' B' ' 15' ' ' SER . 33.7 mt-10 -125.26 11.66 8.15 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.225 2.21 . . . . 0.0 112.691 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -110.73 155.13 22.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.066 1.346 . . . . 0.0 113.593 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -52.04 -35.95 48.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.873 1.269 . . . . 0.0 114.415 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -71.77 -37.78 70.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.24 -24.99 51.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.565 0.62 . . . . 0.0 112.529 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.07 -37.64 69.57 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.82 -0.61 . . . . 0.0 110.782 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -63.35 -31.15 72.22 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -76.91 -19.53 57.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.6 1.16 . . . . 0.0 113.721 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.0 mt -117.53 -39.51 3.15 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt 29.21 63.59 0.77 Allowed Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 127.537 2.335 . . . . 0.0 114.407 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -84.78 -20.67 3.6 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 124.724 3.616 . . . . 0.0 114.904 -176.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -44.73 -36.85 3.37 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 117.878 2.548 . . . . 0.0 117.878 -172.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -136.86 16.16 3.07 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.014 1.326 . . . . 0.0 111.176 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -71.57 -14.49 62.1 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 19.5 m -68.99 -10.11 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 128.123 2.569 . . . . 0.0 115.639 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -126.1 170.32 11.89 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.283 1.833 . . . . 0.0 114.253 -176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.9 m -166.63 80.48 1.01 Allowed Pre-proline 0 N--CA 1.479 0.999 0 C-N-CA 126.64 1.976 . . . . 0.0 110.743 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.69 -33.09 22.32 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.659 2.239 . . . . 0.0 113.045 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 70.6 mt -147.57 148.5 31.13 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 127.21 2.204 . . . . 0.0 109.512 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.22 -35.64 95.71 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.337 2.691 . . . . 0.0 114.439 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -154.48 151.89 29.48 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.115 2.166 . . . . 0.0 111.211 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -157.51 128.62 6.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.961 1.704 . . . . 0.0 109.142 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.0 170.85 10.31 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 46.1 mtp -81.86 32.88 0.37 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.296 1.838 . . . . 0.0 113.765 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.68 -32.33 69.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -144.06 30.77 1.28 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.622 1.169 . . . . 0.0 113.039 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -148.34 149.66 32.21 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.819 1.647 . . . . 0.0 111.182 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 24.7 tpp -159.36 135.79 9.13 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.869 0.867 . . . . 0.0 112.057 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 156.64 17.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.116 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -133.98 162.65 56.4 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 126.568 1.947 . . . . 0.0 110.475 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -57.14 -21.68 44.05 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.605 2.203 . . . . 0.0 113.847 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -57.22 -34.7 68.81 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.682 1.193 . . . . 0.0 112.829 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.44 -28.53 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.728 1.211 . . . . 0.0 112.368 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 27.5 mt -83.54 -38.42 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.543 1.537 . . . . 0.0 111.065 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.35 3.86 3.39 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.771 -1.206 . . . . 0.0 113.229 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -54.5 5.04 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.046 1.339 . . . . 0.0 111.987 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -25.65 59.11 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -177.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -11.33 60.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 118.989 0.813 . . . . 0.0 113.035 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -27.84 63.67 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 0.61 73.15 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 130.088 3.355 . . . . 0.0 116.225 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.71 149.44 92.72 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.351 1.461 . . . . 0.0 114.161 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.4 -5.2 16.33 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 124.739 3.626 . . . . 0.0 113.957 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.18 -177.74 41.91 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 125.516 1.531 . . . . 0.0 113.167 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.47 -18.74 29.29 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.912 3.075 . . . . 0.0 114.406 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 125.481 1.513 . . . . 0.0 111.869 179.709 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo . . . . . 0 CA--C 1.538 0.694 0 N-CA-C 114.749 1.019 . . . . 0.0 114.749 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 9.9 m120 -53.45 -21.88 6.91 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.572 1.549 . . . . 0.0 114.428 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -64.7 -18.26 64.83 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.326 1.85 . . . . 0.0 113.95 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 54.0 m -110.14 178.51 4.37 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.731 1.612 . . . . 0.0 113.287 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 29.8 pt -136.73 165.11 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.28 1.832 . . . . 0.0 110.778 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 15.7 m -156.61 149.75 18.63 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 125.228 1.411 . . . . 0.0 111.017 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.61 -28.45 44.82 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.094 2.529 . . . . 0.0 113.703 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.8 p -58.37 -35.61 72.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.957 1.303 . . . . 0.0 113.139 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.56 71.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.873 0.869 . . . . 0.0 113.23 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.61 -36.43 73.5 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.532 -0.73 . . . . 0.0 110.54 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.76 -36.25 78.1 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.797 -0.565 . . . . 0.0 110.977 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.99 -38.68 91.75 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.504 -0.748 . . . . 0.0 111.029 174.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.74 -47.51 85.97 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.331 -0.856 . . . . 0.0 109.578 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.69 -48.96 79.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.151 0.58 . . . . 0.0 112.171 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -64.55 -29.79 70.82 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.055 0.843 . . . . 0.0 112.985 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 33.4 m -77.78 -38.25 47.08 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.955 0.902 . . . . 0.0 111.243 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.18 -33.64 75.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.561 1.144 . . . . 0.0 111.692 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.64 -29.42 70.62 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 70.6 m -70.27 154.22 94.66 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.587 1.155 . . . . 0.0 111.863 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.43 150.66 84.21 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.757 2.304 . . . . 0.0 112.515 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 45.1 m -62.51 127.4 31.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.91 1.284 . . . . 0.0 113.369 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 89.3 p -160.74 156.68 22.26 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 126.469 1.908 . . . . 0.0 109.638 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -53.5 -34.66 73.22 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.466 2.11 . . . . 0.0 111.963 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -69.07 -48.55 62.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.276 1.431 . . . . 0.0 111.755 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -62.96 -41.59 99.57 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 0.0 110.893 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.22 -50.7 72.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.866 1.266 . . . . 0.0 109.762 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -59.0 -36.27 74.65 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.848 0.859 . . . . 0.0 112.22 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -62.91 -41.41 99.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.025 1.284 . . . . 0.0 112.202 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 85.3 t -62.5 -42.49 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.732 1.151 . . . . 0.0 109.898 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.77 -40.81 93.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.649 -0.657 . . . . 0.0 111.323 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.07 -44.29 96.22 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.887 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 50.4 mt -61.99 -39.53 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.916 1.287 . . . . 0.0 110.522 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.09 -44.88 68.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.411 -0.806 . . . . 0.0 111.084 175.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -62.38 -22.38 66.08 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.377 1.471 . . . . 0.0 113.756 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 68.1 m -69.21 -17.18 63.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.294 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.16 67.88 4.15 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 127.524 2.33 . . . . 0.0 109.807 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.44 -22.57 59.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.839 3.026 . . . . 0.0 116.043 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -43.9 -47.2 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.531 1.932 . . . . 0.0 114.031 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.25 -38.73 30.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.356 1.062 . . . . 0.0 113.552 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.1 ttp -65.34 -42.81 92.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.551 0.741 . . . . 0.0 112.013 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -57.24 -28.92 63.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.836 1.254 . . . . 0.0 114.113 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.45 81.4 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.483 -0.761 . . . . 0.0 112.78 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 10.9 t80 -76.54 -52.67 9.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.009 1.323 . . . . 0.0 112.803 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -38.54 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -53.59 -27.22 25.41 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -97.32 -38.35 9.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.593 0.757 . . . . 0.0 111.472 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -59.44 -37.13 77.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.938 1.295 . . . . 0.0 112.939 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.2 t -54.49 -31.45 55.94 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.702 1.201 . . . . 0.0 113.585 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.89 49.8 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -128.36 -6.6 5.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.118 1.367 . . . . 0.0 114.034 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 2.2 t80 -81.99 45.14 0.89 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.568 1.947 . . . . 0.0 113.188 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 3.6 p -77.49 109.55 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.684 1.594 . . . . 0.0 109.901 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -92.12 4.88 52.21 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -174.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -113.84 13.72 18.47 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -66.32 154.02 91.33 Favored Pre-proline 0 CA--C 1.553 1.072 0 O-C-N 121.077 -1.014 . . . . 0.0 111.11 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.49 -8.5 23.76 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 123.63 2.886 . . . . 0.0 115.823 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 103.55 10.1 36.53 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 14.3 tpt -143.42 148.82 36.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.418 1.487 . . . . 0.0 110.35 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 125.825 1.65 . . . . 0.0 111.329 -178.593 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.538 0.687 0 N-CA-C 113.72 0.623 . . . . 0.0 113.72 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -145.77 159.35 43.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.099 1.76 . . . . 0.0 110.897 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 52.1 p -79.6 166.24 22.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.725 0.774 . . . . 0.0 112.419 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -94.74 3.32 55.18 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.561 0.744 . . . . 0.0 111.533 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -85.26 -40.81 16.19 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.648 1.179 . . . . 0.0 113.867 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p 0.35 -93.6 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 129.295 3.038 . . . . 0.0 116.618 -176.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -57.81 -39.78 78.41 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.847 2.459 . . . . 0.0 114.202 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . 0.469 ' HA ' ' CD1' ' B' ' 23' ' ' TRP . 68.5 m -65.56 -30.92 71.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.296 1.039 . . . . 0.0 111.908 176.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -72.31 -27.13 62.25 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.08 1.352 . . . . 0.0 112.774 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.44 -37.1 82.49 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.854 -0.529 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' B' ' 20' ' ' SER . 11.0 m95 -60.26 -31.68 70.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.481 0.582 . . . . 0.0 112.241 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.93 -44.12 64.15 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.196 1.399 . . . . 0.0 111.675 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt -77.16 -37.28 54.15 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.558 1.543 . . . . 0.0 114.477 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 mt -52.66 -55.53 31.75 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 118.47 2.767 . . . . 0.0 118.47 -175.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.21 4.76 2.62 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.718 3.612 . . . . 0.0 114.038 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -128.49 5.61 5.68 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.424 1.09 . . . . 0.0 113.871 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -126.9 -2.36 6.55 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.176 1.79 . . . . 0.0 111.505 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -145.78 145.42 30.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.163 1.385 . . . . 0.0 112.167 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.86 -15.31 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 126.149 1.78 . . . . 0.0 114.005 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 mt -85.4 166.01 16.74 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.864 2.066 . . . . 0.0 114.456 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.1 p -150.28 153.1 34.51 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 128.158 2.583 . . . . 0.0 109.234 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.02 -31.36 9.86 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.283 1.989 . . . . 0.0 113.81 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 64.5 mt -146.07 154.11 50.06 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 126.99 2.116 . . . . 0.0 109.918 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.03 -18.05 51.52 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.819 3.013 . . . . 0.0 116.253 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.4 p -124.07 7.72 8.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -59.06 117.41 4.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.888 1.275 . . . . 0.0 110.999 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.1 176.74 11.23 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.835 1.254 . . . . 0.0 112.646 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 43.1 mtp -76.99 38.31 0.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.797 1.639 . . . . 0.0 114.507 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.57 -33.98 77.18 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -146.73 29.28 1.02 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.636 1.174 . . . . 0.0 113.172 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 pp -148.45 151.93 36.07 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.318 1.447 . . . . 0.0 111.822 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 27.0 tpp -154.16 148.92 26.52 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.978 0.911 . . . . 0.0 112.983 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.18 159.56 11.83 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.55 1.54 . . . . 0.0 114.916 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.3 m -122.28 165.72 19.85 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.099 2.56 . . . . 0.0 111.47 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.45 -24.43 61.04 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.44 2.094 . . . . 0.0 114.035 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.83 -35.82 73.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.884 1.273 . . . . 0.0 112.075 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -70.93 -33.27 70.34 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.938 . . . . 0.0 111.588 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -75.36 -43.77 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.847 1.259 . . . . 0.0 111.024 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.48 -7.0 47.63 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.864 -1.148 . . . . 0.0 113.268 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -49.3 9.77 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.786 1.234 . . . . 0.0 113.333 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -24.01 62.15 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -174.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -9.72 50.52 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -12.99 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -51.73 140.44 19.03 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.901 1.28 . . . . 0.0 113.124 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -133.6 88.51 33.72 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.817 1.247 . . . . 0.0 111.838 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -77.03 -4.91 15.4 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.554 2.836 . . . . 0.0 114.1 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.31 65.26 2.57 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.496 1.046 . . . . 0.0 113.771 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.81 -14.29 38.67 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.571 2.847 . . . . 0.0 114.64 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.778 1.631 . . . . 0.0 111.535 179.071 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 CA--C 1.543 0.93 0 N-CA-C 113.31 0.466 . . . . 0.0 113.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 36.5 p30 -135.23 6.29 3.31 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.027 1.731 . . . . 0.0 114.488 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -84.35 168.61 15.44 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.402 1.481 . . . . 0.0 111.365 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 67.3 m -129.13 79.11 1.89 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.387 1.475 . . . . 0.0 111.413 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 17.7 pt -142.05 133.99 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.868 1.667 . . . . 0.0 110.027 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 57.8 m -84.55 134.79 41.75 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 123.311 0.644 . . . . 0.0 112.212 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.29 -25.83 36.08 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.754 2.303 . . . . 0.0 112.646 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 28.5 p -56.36 -34.05 66.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.453 1.101 . . . . 0.0 112.898 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.5 70.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.629 1.172 . . . . 0.0 112.94 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.5 -49.39 66.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.141 0.977 . . . . 0.0 109.847 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.45 -41.93 96.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.651 0.38 . . . . 0.0 111.394 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.73 -38.64 91.69 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.772 0.829 . . . . 0.0 112.204 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.57 -50.71 68.4 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.108 -0.995 . . . . 0.0 110.003 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.93 -45.26 94.46 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -60.53 -32.02 71.08 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.432 1.015 . . . . 0.0 111.824 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.0 m -75.52 -43.56 48.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.347 1.059 . . . . 0.0 111.196 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.14 -37.77 75.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.713 1.205 . . . . 0.0 112.337 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.92 -16.98 64.35 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.8 m -68.37 162.49 61.09 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.772 1.229 . . . . 0.0 112.305 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.91 153.0 73.43 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.09 1.86 . . . . 0.0 111.182 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 35.0 m -58.65 120.37 8.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.921 1.288 . . . . 0.0 113.156 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.9 p -160.23 159.18 26.61 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.118 0.967 . . . . 0.0 113.15 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -57.71 -33.83 97.31 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.589 2.193 . . . . 0.0 111.617 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -63.83 -43.99 94.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.986 1.314 . . . . 0.0 111.343 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.29 -49.29 76.22 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.653 0.781 . . . . 0.0 110.574 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.01 -47.88 81.71 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.218 0.607 . . . . 0.0 110.481 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.09 -40.53 89.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.926 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.53 -44.21 94.89 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.929 1.24 . . . . 0.0 112.6 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 59.2 t -63.43 -40.86 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 119.748 1.158 . . . . 0.0 110.205 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.08 -39.81 91.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.624 0.647 . . . . 0.0 111.224 174.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -62.1 -47.0 86.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 110.918 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.24 -44.5 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.134 1.374 . . . . 0.0 110.726 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.24 -42.69 79.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.115 0.966 . . . . 0.0 112.21 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.67 -23.11 67.24 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.231 1.012 . . . . 0.0 112.296 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 47.4 m -80.96 -8.35 59.74 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.516 1.126 . . . . 0.0 112.282 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -138.13 58.95 16.57 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.255 2.222 . . . . 0.0 110.53 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.21 -32.68 41.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.54 2.827 . . . . 0.0 115.923 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -50.9 -50.22 57.78 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.772 1.629 . . . . 0.0 112.76 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.77 -28.7 27.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 4.8 ttp -72.02 -52.18 18.19 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.19 0.596 . . . . 0.0 112.032 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.83 85.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.408 1.083 . . . . 0.0 112.325 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.7 95.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.901 0.48 . . . . 0.0 111.555 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.3 -52.68 21.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.575 0.75 . . . . 0.0 112.701 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -43.22 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.812 0.733 . . . . 0.0 112.776 -176.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 10.8 mtpm? -60.76 -19.42 59.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -98.54 -42.48 7.28 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.122 174.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -62.79 -36.93 84.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.388 1.475 . . . . 0.0 112.984 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -56.27 -29.68 61.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.14 0.976 . . . . 0.0 113.064 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.24 -13.46 28.34 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.58 1.152 . . . . 0.0 113.986 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 44.8 tptt -117.39 1.05 12.33 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.759 2.024 . . . . 0.0 112.644 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -103.23 32.25 3.87 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.701 2.4 . . . . 0.0 110.973 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 8.0 p -114.23 123.18 69.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 126.713 2.005 . . . . 0.0 110.158 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -141.16 169.56 17.39 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.953 1.701 . . . . 0.0 111.889 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -63.15 157.8 21.45 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.163 0.985 . . . . 0.0 112.603 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.02 144.23 82.79 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.274 1.03 . . . . 0.0 113.774 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -70.76 -18.88 32.01 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 123.541 2.827 . . . . 0.0 114.002 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -84.16 1.13 89.12 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.807 1.194 . . . . 0.0 114.597 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 41.9 ttp -56.52 138.28 52.06 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.891 1.676 . . . . 0.0 112.438 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 124.82 1.248 . . . . 0.0 112.609 179.598 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.54 0.794 0 N-CA-C 114.25 0.827 . . . . 0.0 114.25 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 pp -136.79 164.72 27.61 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.096 1.758 . . . . 0.0 113.47 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -56.17 142.14 38.15 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -80.8 17.07 1.23 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.302 1.841 . . . . 0.0 114.517 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.67 10.02 9.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.937 1.695 . . . . 0.0 112.388 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 73.9 p -82.86 -169.61 2.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.13 1.772 . . . . 0.0 111.218 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -35.64 -43.03 0.26 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.239 2.215 . . . . 0.0 116.639 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -60.28 -34.49 73.82 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -90.62 -26.98 19.37 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.003 1.321 . . . . 0.0 111.411 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.4 -35.96 76.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.512 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -57.55 -36.23 71.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.447 1.022 . . . . 0.0 112.833 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.28 -31.88 49.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.178 1.391 . . . . 0.0 113.14 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 mt -92.24 -52.7 4.56 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt 27.24 65.36 0.58 Allowed Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 126.499 1.919 . . . . 0.0 113.277 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.45 -26.61 14.04 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 124.589 3.526 . . . . 0.0 117.357 -170.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pm0 -57.79 -35.54 70.96 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -173.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -143.61 40.16 1.42 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.291 1.837 . . . . 0.0 109.217 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -40.4 -24.1 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 120.411 3.485 . . . . 0.0 120.411 -174.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 m -134.59 4.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -137.22 174.57 10.46 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.88 1.672 . . . . 0.0 114.778 -175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 71.2 m -157.73 154.28 24.57 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 126.372 1.869 . . . . 0.0 109.67 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -71.94 -18.95 27.45 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.753 2.302 . . . . 0.0 112.921 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.6 mt -140.15 141.0 25.02 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 126.929 2.091 . . . . 0.0 109.33 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -80.95 -6.31 13.16 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.657 2.905 . . . . 0.0 114.768 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.3 t -142.41 -169.34 2.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.694 1.198 . . . . 0.0 113.001 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -49.9 142.88 8.42 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.239 2.215 . . . . 0.0 113.44 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -145.73 -6.33 0.61 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.443 1.497 . . . . 0.0 114.795 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 43.7 mtp -79.51 25.24 0.33 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.506 1.522 . . . . 0.0 114.803 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.24 -38.36 79.85 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -146.32 23.68 1.3 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.607 1.163 . . . . 0.0 113.308 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -138.56 142.63 39.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.07 1.748 . . . . 0.0 109.636 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 31.9 tpp -151.14 159.88 44.2 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.744 0.817 . . . . 0.0 113.087 -174.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.54 149.38 48.83 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.834 0.854 . . . . 0.0 111.728 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -130.93 166.63 26.14 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 127.269 2.228 . . . . 0.0 111.046 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -54.86 -28.24 57.33 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.621 2.214 . . . . 0.0 113.95 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.45 -34.42 72.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.306 1.042 . . . . 0.0 112.843 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -77.28 -30.57 54.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.331 1.052 . . . . 0.0 111.884 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.64 -35.57 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.55 1.54 . . . . 0.0 111.471 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.67 -3.34 30.8 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.204 -1.56 . . . . 0.0 113.302 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -46.67 12.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.049 1.34 . . . . 0.0 114.303 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -19.65 55.31 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -173.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -12.7 36.2 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 3.1 t -53.65 -27.45 27.48 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -174.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -70.33 -11.71 61.09 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.75 117.41 34.93 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.196 1.398 . . . . 0.0 112.248 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.84 -16.28 29.57 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 123.403 2.735 . . . . 0.0 113.254 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.08 155.62 9.57 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 126.826 2.155 . . . . 0.0 113.212 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -76.24 -8.69 18.77 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.085 3.19 . . . . 0.0 113.99 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 126.132 1.773 . . . . 0.0 111.837 -179.024 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo . . . . . 0 CA--C 1.544 0.977 0 N-CA-C 113.411 0.504 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.06 37.99 1.59 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.227 1.811 . . . . 0.0 110.684 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -123.38 21.88 9.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.342 1.857 . . . . 0.0 113.432 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 63.0 p -120.78 163.11 18.64 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.278 1.831 . . . . 0.0 112.083 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 21.0 pt -57.56 138.27 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.277 1.031 . . . . 0.0 112.529 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 37.7 t -162.47 145.29 8.64 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 123.963 0.905 . . . . 0.0 112.217 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -62.07 -19.73 67.31 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.026 2.484 . . . . 0.0 113.208 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.8 p -64.77 -32.36 74.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.152 -0.968 . . . . 0.0 111.808 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.67 -33.71 73.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.251 1.02 . . . . 0.0 112.538 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.28 -32.41 71.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.188 0.995 . . . . 0.0 109.79 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.06 -36.67 66.92 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.783 -0.573 . . . . 0.0 110.669 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -64.29 -34.33 77.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.391 -0.818 . . . . 0.0 111.196 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.53 -45.03 95.38 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.375 -0.828 . . . . 0.0 109.559 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.66 -48.41 81.92 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.791 -0.624 . . . . 0.0 111.856 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -62.94 -31.48 72.59 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 119.951 1.25 . . . . 0.0 112.353 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 97.9 m -69.63 -40.96 76.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.513 1.125 . . . . 0.0 111.102 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 31.1 tp -63.11 -38.74 92.37 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.231 -0.918 . . . . 0.0 110.352 174.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -74.57 45.39 0.24 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.507 1.923 . . . . 0.0 114.233 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 16.1 p -146.08 161.41 39.59 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.297 1.439 . . . . 0.0 111.606 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 157.44 39.19 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.817 2.345 . . . . 0.0 113.093 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.0 m -54.49 107.93 0.33 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.934 1.694 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -159.83 160.05 27.38 Favored Pre-proline 0 N--CA 1.472 0.668 0 C-N-CA 123.946 0.899 . . . . 0.0 112.804 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -59.72 -29.59 90.07 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.398 2.066 . . . . 0.0 111.889 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.023 0.929 . . . . 0.0 111.369 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.0 -44.96 95.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.25 0.62 . . . . 0.0 110.219 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.87 -40.93 97.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.829 0.852 . . . . 0.0 111.645 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -62.72 -40.02 95.87 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.678 -0.638 . . . . 0.0 110.694 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -61.16 -45.85 92.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.737 0.699 . . . . 0.0 110.671 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 95.1 t -58.18 -48.81 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 118.744 0.702 . . . . 0.0 110.244 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.25 -46.17 83.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.089 0.956 . . . . 0.0 111.465 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -60.04 -48.95 79.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.799 0.84 . . . . 0.0 111.835 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.89 -53.7 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.37 1.068 . . . . 0.0 110.073 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.77 -42.96 99.93 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.89 -26.64 68.41 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.255 1.389 . . . . 0.0 112.73 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 45.8 m -84.31 -6.46 59.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.409 1.084 . . . . 0.0 112.464 174.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -133.07 63.53 67.01 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.861 2.064 . . . . 0.0 110.131 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -57.76 -39.33 88.18 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.127 3.218 . . . . 0.0 114.525 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -41.62 76.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.01 -35.68 23.69 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.728 0.695 . . . . 0.0 112.758 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.3 -52.37 48.0 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.197 0.599 . . . . 0.0 112.233 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.6 78.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.276 0.63 . . . . 0.0 111.547 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.05 96.66 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.605 -0.684 . . . . 0.0 110.743 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.74 -53.21 23.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.09 0.956 . . . . 0.0 113.093 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.55 -42.87 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.719 1.145 . . . . 0.0 112.668 -177.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.92 -16.37 50.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.789 0.722 . . . . 0.0 112.935 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -99.14 -45.68 5.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 111.702 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.4 75.26 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.923 1.289 . . . . 0.0 112.711 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.2 t -51.46 -32.7 28.02 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.926 1.291 . . . . 0.0 112.858 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.93 -17.95 64.03 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.135 1.374 . . . . 0.0 114.344 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -136.94 12.66 3.12 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.02 2.128 . . . . 0.0 114.174 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 12.6 t80 -55.28 118.19 4.18 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 45.3 t -144.43 138.41 23.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 127.909 2.483 . . . . 0.0 107.605 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -61.21 -8.89 4.04 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -153.07 164.15 38.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.888 2.075 . . . . 0.0 110.338 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -154.56 151.94 24.87 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.991 1.316 . . . . 0.0 111.743 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -54.26 156.79 12.66 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 124.202 3.268 . . . . 0.0 115.217 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -165.8 53.18 0.26 Allowed Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.278 0.942 . . . . 0.0 114.134 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 24.1 ptt? -135.14 22.16 3.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.119 1.367 . . . . 0.0 113.965 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 112.515 179.546 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 CA--C 1.54 0.817 0 N-CA-C 113.48 0.531 . . . . 0.0 113.48 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 147.03 47.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.191 1.396 . . . . 0.0 113.053 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 17.8 m -68.76 164.78 21.02 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.622 1.169 . . . . 0.0 112.252 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -110.11 9.31 24.07 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.553 1.141 . . . . 0.0 112.796 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.08 15.47 7.32 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.035 1.734 . . . . 0.0 112.642 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 63.2 p -65.4 172.23 3.38 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.09 1.356 . . . . 0.0 112.699 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -48.48 -34.27 10.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.236 1.014 . . . . 0.0 113.684 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -62.58 -31.44 72.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.85 1.26 . . . . 0.0 113.893 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.72 -23.63 29.24 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 111.856 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.36 -34.61 75.59 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.479 -0.763 . . . . 0.0 110.825 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -58.75 -34.2 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.156 0.582 . . . . 0.0 112.265 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -77.73 -34.21 52.69 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.999 1.32 . . . . 0.0 112.217 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.31 -32.91 64.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.439 1.096 . . . . 0.0 112.429 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.06 165.19 23.12 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.336 1.454 . . . . 0.0 112.792 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -57.28 33.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.178 1 C-N-CA 127.899 5.733 . . . . 0.0 119.124 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -50.62 -25.39 4.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.568 1.947 . . . . 0.0 114.807 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -72.6 -7.98 52.96 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.309 1.443 . . . . 0.0 113.605 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -129.47 17.04 5.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.159 1.784 . . . . 0.0 114.766 -174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 23.4 m -56.25 -23.88 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.47 121.01 9.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.13 1.372 . . . . 0.0 112.347 -177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 5.6 m -160.76 156.29 21.58 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 127.03 2.132 . . . . 0.0 110.788 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.37 -19.48 49.53 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 123.256 2.638 . . . . 0.0 113.13 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mp -116.31 74.79 5.96 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 127.855 2.462 . . . . 0.0 108.863 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.69 -18.7 32.47 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.338 2.692 . . . . 0.0 114.878 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -139.53 -0.02 1.81 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -97.57 6.38 48.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.036 1.334 . . . . 0.0 114.384 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.1 -12.06 46.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.838 1.655 . . . . 0.0 115.428 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 30.0 mtt -117.7 13.89 14.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.181 1.393 . . . . 0.0 113.817 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.37 -29.77 66.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -130.11 12.26 5.59 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.334 1.454 . . . . 0.0 112.989 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.85 113.46 5.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.454 1.502 . . . . 0.0 111.701 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.7 tpp -142.03 132.98 25.91 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.88 1.272 . . . . 0.0 110.945 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.56 175.34 0.47 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.354 3.062 . . . . 0.0 114.51 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -126.67 164.89 31.77 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.618 2.367 . . . . 0.0 109.499 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -56.2 -28.63 71.93 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.356 2.037 . . . . 0.0 113.724 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -27.02 65.47 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.109 1.364 . . . . 0.0 113.419 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -91.49 -28.77 17.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 111.792 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 50.4 mt -81.78 -32.22 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.984 1.314 . . . . 0.0 111.297 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.91 2.62 4.09 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.64 -1.287 . . . . 0.0 112.998 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -78.47 -60.18 2.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.472 1.509 . . . . 0.0 113.104 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -20.79 61.59 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -172.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -9.96 59.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 t -56.3 -28.76 59.87 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.63 -6.9 59.44 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.595 1.158 . . . . 0.0 113.996 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.15 136.02 82.13 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.835 1.254 . . . . 0.0 110.825 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.76 -7.14 20.68 Favored 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.395 3.397 . . . . 0.0 115.397 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.63 67.53 0.47 Allowed Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.641 1.591 . . . . 0.0 113.014 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -71.05 -11.23 28.84 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.802 3.001 . . . . 0.0 113.827 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.4 t0 . . . . . 0 C--O 1.24 0.588 0 C-N-CA 125.849 1.66 . . . . 0.0 113.366 178.532 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 CA--C 1.541 0.874 0 N-CA-C 113.502 0.539 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -74.02 -12.12 60.53 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.893 1.277 . . . . 0.0 113.773 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.72 159.13 30.75 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.759 1.623 . . . . 0.0 112.928 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 3.6 p -87.86 72.76 9.31 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.163 1.785 . . . . 0.0 113.84 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 19.0 pt -148.15 161.14 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.351 1.86 . . . . 0.0 111.142 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.4 m -145.23 136.57 12.65 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.687 1.195 . . . . 0.0 111.197 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.38 -24.46 31.38 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.008 2.472 . . . . 0.0 112.415 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 27.0 p -55.85 -31.5 62.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.065 0.946 . . . . 0.0 112.72 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.08 71.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.368 1.067 . . . . 0.0 112.194 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.67 -41.75 68.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.928 1.291 . . . . 0.0 110.487 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -67.05 -42.14 85.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.547 -0.721 . . . . 0.0 111.103 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -66.34 -29.45 69.64 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.671 -0.643 . . . . 0.0 112.353 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.35 -50.1 69.05 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.207 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 39.8 mt -59.61 -46.65 88.35 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 118.785 -0.626 . . . . 0.0 112.618 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.63 -29.71 70.24 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.599 1.09 . . . . 0.0 112.145 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 85.9 m -73.8 -41.71 61.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.481 1.112 . . . . 0.0 110.343 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.39 -33.99 74.6 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.588 1.555 . . . . 0.0 111.943 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -57.48 -27.29 62.38 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -66.04 160.18 65.34 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.901 1.28 . . . . 0.0 112.503 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.62 150.88 83.71 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.102 1.868 . . . . 0.0 111.392 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.6 m -55.54 122.61 11.68 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.715 1.606 . . . . 0.0 113.644 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 94.8 p -163.23 159.26 18.3 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -59.79 -28.13 86.54 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.901 2.401 . . . . 0.0 112.209 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -65.6 -44.08 87.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.017 0.927 . . . . 0.0 110.701 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -62.13 -46.41 89.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.171 0.989 . . . . 0.0 110.774 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.59 -50.41 70.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.974 1.31 . . . . 0.0 110.696 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.13 -40.67 98.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.114 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.44 -41.67 98.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.801 1.182 . . . . 0.0 112.7 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.7 t -64.72 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.754 1.161 . . . . 0.0 110.617 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.65 -43.53 97.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.837 0.744 . . . . 0.0 110.38 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.61 -46.62 89.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.686 0.794 . . . . 0.0 111.236 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.43 -45.94 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.158 1.383 . . . . 0.0 110.94 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.55 -43.91 75.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.857 0.863 . . . . 0.0 113.085 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.36 -13.88 59.57 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 61.8 m -81.36 -9.77 59.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.794 1.238 . . . . 0.0 112.553 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.3 p30 -148.41 61.75 5.98 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 127.832 2.453 . . . . 0.0 109.548 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -62.69 -15.91 49.56 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.631 2.888 . . . . 0.0 115.645 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -52.63 -47.65 66.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.256 1.422 . . . . 0.0 111.753 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.82 -28.01 28.36 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 15.5 tmm? -70.24 -47.12 62.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.764 0.826 . . . . 0.0 111.92 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.04 76.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.343 0.657 . . . . 0.0 112.062 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.07 -39.47 82.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.691 -0.631 . . . . 0.0 110.735 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.13 -52.52 63.53 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.962 0.905 . . . . 0.0 111.534 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -38.4 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.415 1.007 . . . . 0.0 111.949 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.87 -28.83 62.29 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.197 0.908 . . . . 0.0 112.884 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.99 -42.67 9.32 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.383 0.673 . . . . 0.0 111.633 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -32.72 73.3 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.158 1.383 . . . . 0.0 113.47 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.6 t -59.5 -31.27 69.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.594 1.157 . . . . 0.0 112.808 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.18 -13.69 40.25 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.5 1.12 . . . . 0.0 113.837 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 21.4 tptp -124.85 5.46 8.06 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.558 1.943 . . . . 0.0 112.61 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.83 47.44 1.49 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.756 1.622 . . . . 0.0 113.46 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 14.1 p -126.65 122.2 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 127.22 2.208 . . . . 0.0 109.315 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -98.64 2.47 47.29 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -174.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -131.52 76.34 1.71 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.893 1.277 . . . . 0.0 111.609 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -141.94 153.54 64.19 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 126.681 1.993 . . . . 0.0 110.201 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.42 162.86 40.23 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.261 2.641 . . . . 0.0 113.205 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -157.9 32.64 0.52 Allowed Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.601 1.096 . . . . 0.0 114.407 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.6 153.98 46.28 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.912 1.685 . . . . 0.0 111.19 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.855 1.262 . . . . 0.0 111.681 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 114.196 0.806 . . . . 0.0 114.196 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -151.97 169.34 22.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.392 1.477 . . . . 0.0 112.046 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -154.81 174.12 15.51 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.23 1.412 . . . . 0.0 111.19 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.82 7.39 0.37 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.858 2.463 . . . . 0.0 113.815 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -127.91 14.79 6.88 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.913 2.085 . . . . 0.0 112.456 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.3 p -98.72 -156.19 0.53 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.037 1.735 . . . . 0.0 110.993 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.93 -30.6 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.958 1.303 . . . . 0.0 113.488 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -56.28 -37.24 69.57 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.942 1.697 . . . . 0.0 113.128 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -83.0 -29.76 28.68 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.816 1.247 . . . . 0.0 111.918 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.01 -35.61 77.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.236 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -60.95 -30.68 70.38 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.593 1.088 . . . . 0.0 112.436 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -75.27 -23.2 57.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.984 1.314 . . . . 0.0 113.344 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.67 -9.84 58.59 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.677 1.191 . . . . 0.0 113.499 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.27 156.56 89.85 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.32 1.448 . . . . 0.0 114.054 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -75.46 40.16 0.67 Allowed 'Trans proline' 0 CA--C 1.55 1.313 1 C-N-CA 125.454 4.102 . . . . 0.0 112.101 175.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -56.53 -14.96 3.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.716 2.006 . . . . 0.0 115.921 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -111.08 10.76 22.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.538 1.535 . . . . 0.0 112.616 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -123.44 95.08 4.45 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.157 1.383 . . . . 0.0 111.453 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -76.2 -21.67 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.89 169.54 2.52 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 18.3 p -143.15 123.24 7.84 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 125.649 1.58 . . . . 0.0 111.569 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.56 1.76 8.75 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.967 3.112 . . . . 0.0 114.592 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 80.5 mt -129.86 155.43 80.53 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 126.176 1.791 . . . . 0.0 111.529 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.84 -29.02 61.07 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 124.019 3.146 . . . . 0.0 114.916 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -151.64 148.18 27.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.71 1.604 . . . . 0.0 110.994 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -144.74 123.25 12.42 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.174 1.79 . . . . 0.0 109.239 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.01 -175.43 5.43 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.698 1.599 . . . . 0.0 110.971 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 20.1 ptm -134.97 18.62 3.47 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.04 -23.56 47.45 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.753 2.021 . . . . 0.0 116.318 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -122.48 18.75 10.5 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.538 1.535 . . . . 0.0 112.631 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.78 50.88 0.99 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.228 1.811 . . . . 0.0 111.612 -177.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 138.74 55.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.882 0.873 . . . . 0.0 111.797 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.0 155.17 20.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.676 1.191 . . . . 0.0 112.999 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -135.76 167.31 22.74 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 127.211 2.204 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -55.09 -26.61 51.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.621 2.214 . . . . 0.0 113.919 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.67 -33.41 71.53 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.469 1.107 . . . . 0.0 112.81 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -77.7 -35.86 51.73 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.291 1.036 . . . . 0.0 111.343 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 43.7 mt -73.23 -36.99 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.243 1.417 . . . . 0.0 111.166 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.86 -5.25 45.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 113.3 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -47.28 11.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -22.97 60.16 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -173.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -17.11 34.66 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -17.08 63.85 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.49 -3.67 15.55 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.616 1.566 . . . . 0.0 114.738 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -51.31 119.57 12.93 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.18 1.392 . . . . 0.0 112.738 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.45 52.06 3.12 Favored 'Trans proline' 0 CA--C 1.55 1.286 0 C-N-CA 125.108 3.872 . . . . 0.0 114.106 -177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.35 169.04 41.06 Favored Glycine 0 CA--C 1.546 2.015 0 C-N-CA 124.624 1.107 . . . . 0.0 114.337 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.81 -11.51 23.86 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.116 3.211 . . . . 0.0 114.996 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.4 t0 . . . . . 0 N--CA 1.472 0.654 0 C-N-CA 124.838 1.255 . . . . 0.0 113.241 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo . . . . . 0 CA--C 1.539 0.763 0 N-CA-C 114.27 0.835 . . . . 0.0 114.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.78 -18.78 23.78 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.268 1.827 . . . . 0.0 115.144 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -117.98 21.31 12.9 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.276 1.831 . . . . 0.0 112.553 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 49.4 m -126.78 172.48 10.33 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.142 1.777 . . . . 0.0 112.082 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 22.3 pt -58.98 146.45 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.204 1.401 . . . . 0.0 113.086 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 74.4 m -91.47 123.08 64.85 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 123.985 0.914 . . . . 0.0 109.168 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.93 -23.27 74.17 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.879 2.386 . . . . 0.0 114.139 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.3 p -64.32 -36.75 85.12 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.942 0.897 . . . . 0.0 112.314 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.18 74.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.386 1.074 . . . . 0.0 112.433 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -42.32 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.013 0.925 . . . . 0.0 110.029 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.55 -37.77 74.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.865 -0.522 . . . . 0.0 111.256 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -65.98 -31.0 71.66 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.502 -0.749 . . . . 0.0 111.7 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.29 -44.17 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.829 -1.169 . . . . 0.0 109.845 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.21 -48.55 79.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.902 -0.571 . . . . 0.0 112.357 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -60.87 -34.41 74.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.676 1.125 . . . . 0.0 111.704 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.3 m -69.54 -43.82 72.2 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.391 1.076 . . . . 0.0 110.832 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.47 -40.54 93.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.057 1.343 . . . . 0.0 112.483 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.29 -33.12 75.24 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.292 1.037 . . . . 0.0 113.603 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 36.1 m -72.63 159.95 84.06 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.496 1.118 . . . . 0.0 111.204 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -61.72 149.66 89.0 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.671 2.247 . . . . 0.0 113.461 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.5 t -77.86 147.57 35.07 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.274 1.429 . . . . 0.0 114.087 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 77.9 p -168.89 162.87 7.95 Favored Pre-proline 0 N--CA 1.473 0.689 0 C-N-CA 127.413 2.285 . . . . 0.0 109.931 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -56.2 -33.12 89.76 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.407 2.071 . . . . 0.0 111.731 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -67.37 -43.11 82.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.56 1.144 . . . . 0.0 110.64 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -64.47 -40.12 95.11 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.987 0.915 . . . . 0.0 111.438 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.44 -48.39 81.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.927 0.891 . . . . 0.0 109.919 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.78 -37.79 77.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.061 0.544 . . . . 0.0 111.658 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -60.8 -45.0 96.12 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.257 0.935 . . . . 0.0 112.516 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 94.7 t -64.85 -42.91 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.073 0.851 . . . . 0.0 110.277 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.01 -38.54 82.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.611 -0.681 . . . . 0.0 111.138 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.43 -46.11 84.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.756 1.162 . . . . 0.0 111.003 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.85 -44.97 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.974 1.31 . . . . 0.0 110.28 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.26 -46.38 77.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 112.166 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -62.33 -27.23 68.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.655 1.182 . . . . 0.0 112.533 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.5 m -77.84 -7.5 56.75 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.536 1.134 . . . . 0.0 112.639 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.83 61.39 35.36 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.256 2.222 . . . . 0.0 110.149 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.65 -37.7 21.03 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 124.182 3.254 . . . . 0.0 116.391 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -47.54 -47.85 27.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.852 1.661 . . . . 0.0 113.413 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.64 -30.72 26.65 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 22.8 ttp -80.01 -45.68 17.97 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.602 -0.686 . . . . 0.0 112.241 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.91 69.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -74.89 -37.92 62.01 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 122.996 0.518 . . . . 0.0 112.066 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.31 -49.47 27.31 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.116 0.967 . . . . 0.0 112.687 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -54.78 -37.53 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.64 0.776 . . . . 0.0 111.45 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.92 -20.76 62.61 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -94.58 -42.28 8.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.515 1.126 . . . . 0.0 109.967 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -38.33 80.57 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.203 1.401 . . . . 0.0 112.958 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -57.13 -32.87 66.8 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.147 0.979 . . . . 0.0 113.073 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.49 -19.05 65.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.628 0.771 . . . . 0.0 113.032 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2108 ' ' LYS . . . . . 0.485 ' HA ' ' HE2' ' A' 2108 ' ' LYS . 0.6 OUTLIER -103.88 -1.01 28.37 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.535 1.934 . . . . 0.0 111.982 177.312 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.02 48.69 1.0 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 124.209 1.957 . . . . 0.0 112.321 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 46.0 t -140.48 121.46 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 129.683 3.193 . . . . 0.0 106.966 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -145.43 170.04 17.15 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.756 1.222 . . . . 0.0 113.234 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.81 161.57 37.75 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.509 1.924 . . . . 0.0 113.468 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -64.65 155.86 80.33 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 125.05 1.34 . . . . 0.0 112.853 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.46 164.4 35.83 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.665 2.91 . . . . 0.0 113.123 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 135.01 -24.96 3.39 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.533 1.539 . . . . 0.0 114.1 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 25.4 ptp -81.82 -175.16 5.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.79 1.636 . . . . 0.0 113.023 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 48.3 tp60 . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 126.241 1.816 . . . . 0.0 112.495 -178.411 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 CA--C 1.536 0.598 0 N-CA-C 114.014 0.736 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.93 171.46 19.65 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.6 1.56 . . . . 0.0 112.256 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -147.35 109.44 4.49 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.814 1.292 . . . . 0.0 113.424 174.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -130.75 21.83 5.02 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.844 2.058 . . . . 0.0 107.038 169.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . 0.304 7.6 pt-20 42.67 49.0 4.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.711 2.805 . . . . 0.0 114.192 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.2 p -89.53 -171.9 3.38 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.933 2.893 . . . . 0.0 112.519 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -47.2 -38.96 12.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.134 1.374 . . . . 0.0 114.571 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -65.19 -33.26 75.59 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.947 0.899 . . . . 0.0 113.094 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -76.13 -25.51 55.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.398 1.079 . . . . 0.0 112.662 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.91 -34.47 78.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.567 -0.708 . . . . 0.0 110.829 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -61.06 -32.94 72.56 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.221 0.609 . . . . 0.0 112.489 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -74.57 -32.23 62.33 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.067 1.347 . . . . 0.0 112.027 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.77 -37.28 62.47 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.31 177.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 47.1 mt -67.4 157.36 85.85 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.481 1.513 . . . . 0.0 113.049 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.99 53.9 3.0 Favored 'Trans proline' 0 CA--C 1.546 1.115 1 C-N-CA 125.532 4.155 . . . . 0.0 114.099 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -48.06 -23.52 0.84 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.625 2.084 . . . . 0.0 116.625 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -77.25 -8.0 56.87 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -70.17 5.25 1.74 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 m -52.85 -23.82 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -86.45 1.33 51.77 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.053 1.341 . . . . 0.0 114.376 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 19.0 t -59.3 151.11 60.5 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 126.137 1.775 . . . . 0.0 113.237 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -65.05 -14.06 43.18 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.927 2.418 . . . . 0.0 112.551 173.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.3 mt -132.81 75.86 71.95 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 127.086 2.154 . . . . 0.0 109.154 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -82.59 -143.81 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 124.84 3.694 . . . . 0.0 110.723 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.8 p -57.02 -12.48 2.09 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -82.09 5.77 18.46 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.815 1.646 . . . . 0.0 113.814 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.57 -20.23 54.24 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.771 1.629 . . . . 0.0 113.819 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.0 mtt -75.97 19.39 0.22 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.538 1.935 . . . . 0.0 115.043 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.03 -25.9 68.04 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 120.622 -1.299 . . . . 0.0 113.965 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -139.2 12.91 2.61 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.345 1.458 . . . . 0.0 113.442 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.55 147.93 28.76 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.222 1.809 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.94 140.41 28.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.052 -176.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.2 mt -69.01 167.46 15.87 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.965 0.888 . . . . 0.0 112.755 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.2 m -127.97 165.08 32.84 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 127.095 2.158 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.46 -24.09 59.31 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.03 1.82 . . . . 0.0 112.892 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.3 -33.13 67.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.391 1.476 . . . . 0.0 112.582 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -75.58 -30.17 59.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.418 1.087 . . . . 0.0 112.22 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.3 -40.22 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 110.397 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.46 -2.26 27.92 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.828 -1.17 . . . . 0.0 113.001 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -55.07 4.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.471 1.108 . . . . 0.0 112.944 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -26.48 67.9 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -174.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -16.93 43.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.06 -21.58 66.84 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -72.44 -16.36 61.82 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.612 1.165 . . . . 0.0 113.638 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -64.54 116.89 32.5 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.017 1.327 . . . . 0.0 113.076 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -72.75 -20.45 22.79 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.445 2.763 . . . . 0.0 113.195 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.83 158.03 8.25 Favored Glycine 0 CA--C 1.545 1.913 0 C-N-CA 125.997 1.761 . . . . 0.0 114.172 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.98 -22.86 54.84 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.975 3.117 . . . . 0.0 115.648 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 127.292 2.237 . . . . 0.0 114.699 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo . . . . . 0 CA--C 1.539 0.764 0 N-CA-C 114.927 1.087 . . . . 0.0 114.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 60.5 t30 -145.97 167.66 22.78 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.998 1.319 . . . . 0.0 112.459 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -71.28 -37.06 71.9 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.787 1.635 . . . . 0.0 113.262 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 71.8 p -74.13 158.33 34.39 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.204 1.002 . . . . 0.0 110.41 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 1.4 pp -123.41 171.87 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.504 1.121 . . . . 0.0 113.413 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 52.0 m -129.04 131.88 24.0 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.177 0.991 . . . . 0.0 112.945 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.47 -21.92 19.06 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.39 2.727 . . . . 0.0 113.495 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 33.1 p -73.73 -30.78 63.02 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.611 1.164 . . . . 0.0 113.605 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.71 73.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.987 0.812 . . . . 0.0 111.467 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.25 -44.29 79.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.514 1.526 . . . . 0.0 109.623 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.959 -0.463 . . . . 0.0 111.419 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.81 -33.78 76.81 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.359 1.064 . . . . 0.0 111.628 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.28 -49.17 72.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.95 -47.08 83.97 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -61.52 -26.96 68.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.411 1.005 . . . . 0.0 112.878 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 62.9 m -81.55 -42.27 20.4 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.952 1.301 . . . . 0.0 111.305 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 44.4 tp -56.73 -28.41 61.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.756 1.622 . . . . 0.0 113.007 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -59.71 -23.19 62.95 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.6 m -73.43 149.44 88.82 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.219 1.007 . . . . 0.0 111.011 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.32 153.94 73.93 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.959 2.439 . . . . 0.0 113.98 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 46.1 m -55.57 119.92 6.42 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.305 1.842 . . . . 0.0 113.42 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -166.84 161.69 11.28 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 125.25 1.42 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.72 -32.37 83.79 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.571 2.181 . . . . 0.0 111.788 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.96 -49.34 75.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.087 1.355 . . . . 0.0 111.033 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -62.2 -46.94 86.69 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.563 1.145 . . . . 0.0 110.747 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.98 -50.49 73.89 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.665 0.786 . . . . 0.0 111.607 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.31 -39.91 94.57 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.157 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -63.41 -47.35 82.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.037 1.289 . . . . 0.0 111.718 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.5 t -58.73 -43.71 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.894 0.77 . . . . 0.0 110.681 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.73 -40.29 95.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.797 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.57 -43.68 97.02 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.899 1.227 . . . . 0.0 110.779 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.7 -47.19 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.443 1.097 . . . . 0.0 109.86 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.23 -36.25 83.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.911 0.885 . . . . 0.0 112.781 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.67 -19.29 62.17 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.657 -1.277 . . . . 0.0 113.392 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.7 m -83.98 -4.21 58.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.381 1.073 . . . . 0.0 112.566 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.11 65.94 7.65 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 128.478 2.711 . . . . 0.0 107.933 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.7 -27.59 68.62 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.961 2.441 . . . . 0.0 113.967 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2096 ' ' GLN . . . . . 0.558 ' CG ' ' H ' ' A' 2097 ' ' LEU . 0.0 OUTLIER -29.8 -71.53 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 128.847 2.859 . . . . 0.0 115.067 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2097 ' ' LEU . . . . . 0.558 ' H ' ' CG ' ' A' 2096 ' ' GLN . 3.3 pp -71.49 -34.7 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.254 2.222 . . . . 0.0 114.527 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 38.6 ttp -68.99 -45.09 71.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.72 0.691 . . . . 0.0 111.223 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.77 -46.1 91.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 111.665 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.73 84.46 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.527 -0.733 . . . . 0.0 112.037 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.37 -53.29 20.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.511 0.724 . . . . 0.0 111.946 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.14 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.367 0.985 . . . . 0.0 111.535 -177.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -58.04 -25.78 61.63 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.13 -37.44 9.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.363 1.065 . . . . 0.0 112.176 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -29.22 67.29 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.513 1.525 . . . . 0.0 113.385 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.6 t -57.17 -34.56 68.59 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.238 1.015 . . . . 0.0 112.127 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -61.16 -14.53 25.64 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.089 1.356 . . . . 0.0 113.674 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -119.97 2.32 10.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.995 2.118 . . . . 0.0 113.196 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.51 73.97 8.53 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 124.311 2.005 . . . . 0.0 112.687 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 57.8 t -142.09 131.39 23.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 128.616 2.766 . . . . 0.0 108.051 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -65.9 123.12 18.95 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 3.5 p30 -157.52 -176.03 5.72 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.488 1.915 . . . . 0.0 112.037 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -116.02 117.29 39.51 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.296 1.438 . . . . 0.0 108.879 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.08 -12.99 26.06 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.486 2.791 . . . . 0.0 115.428 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 87.13 1.68 84.19 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 22.2 ptt? -152.24 176.53 11.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.715 1.606 . . . . 0.0 111.64 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 . . . . . 0 N--CA 1.473 0.701 0 C-N-CA 125.105 1.362 . . . . 0.0 112.757 179.702 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.539 0.731 0 N-CA-C 114.192 0.805 . . . . 0.0 114.192 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -145.34 168.87 19.43 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.024 1.73 . . . . 0.0 112.211 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -66.43 123.35 19.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.702 0.801 . . . . 0.0 112.174 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -58.99 -15.36 12.74 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -81.29 -3.1 51.49 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.538 1.135 . . . . 0.0 113.368 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -79.25 147.65 32.47 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.077 -1.014 . . . . 0.0 113.317 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -40.01 -49.99 2.53 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.4 m -61.71 -36.69 81.64 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -87.6 -25.02 23.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.292 0.496 . . . . 0.0 112.08 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.14 -33.23 68.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.544 0.738 . . . . 0.0 110.621 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -69.33 -46.49 66.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.903 0.774 . . . . 0.0 111.62 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.69 -30.9 71.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 113.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.84 -17.68 64.47 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.783 1.233 . . . . 0.0 113.508 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 39.3 mt -114.78 64.43 1.56 Allowed Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 125.708 1.603 . . . . 0.0 115.124 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -81.45 -24.44 4.39 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 124.925 3.75 . . . . 0.0 114.625 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -20.46 55.87 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -173.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.71 17.08 3.92 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.844 1.258 . . . . 0.0 112.703 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.55 -19.31 49.78 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -173.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.22 -8.2 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 125.381 1.472 . . . . 0.0 113.922 -177.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -76.95 172.0 13.88 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.387 2.675 . . . . 0.0 111.234 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 64.1 m -58.17 155.14 27.16 Favored Pre-proline 0 N--CA 1.476 0.848 0 C-N-CA 124.652 1.181 . . . . 0.0 112.031 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -59.87 -26.54 82.61 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.253 2.636 . . . . 0.0 116.375 -176.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -149.41 145.18 18.8 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 124.247 1.019 . . . . 0.0 112.83 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.85 -29.47 1.29 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.484 2.789 . . . . 0.0 113.973 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.0 t -157.16 -174.2 4.8 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.423 1.889 . . . . 0.0 110.318 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -71.48 26.41 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.501 2.32 . . . . 0.0 114.381 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.02 -12.17 1.35 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.097 2.559 . . . . 0.0 117.278 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 74.0 mtp -111.53 21.59 15.99 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.683 1.193 . . . . 0.0 113.174 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -46.89 -40.91 14.97 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -145.07 36.33 1.12 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.131 0.973 . . . . 0.0 113.216 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 pp -143.2 158.56 43.51 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.856 1.262 . . . . 0.0 112.288 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 21.6 tpp -158.06 161.19 38.0 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.181 1.392 . . . . 0.0 111.089 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.02 127.13 31.79 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.822 0.849 . . . . 0.0 110.775 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -83.38 163.55 49.47 Favored Pre-proline 0 N--CA 1.47 0.557 0 C-N-CA 125.371 1.468 . . . . 0.0 110.824 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.9 -27.39 84.72 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 121.735 1.623 . . . . 0.0 111.172 175.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -36.01 76.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.603 1.961 . . . . 0.0 112.897 175.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.57 -30.92 69.8 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.566 -0.709 . . . . 0.0 111.608 176.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mt -79.82 -40.35 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.755 1.222 . . . . 0.0 111.492 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.21 -0.24 16.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.566 -1.334 . . . . 0.0 113.512 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -51.19 7.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.859 1.264 . . . . 0.0 114.022 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -25.38 62.46 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.03 -9.98 51.74 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -57.45 -26.1 60.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -81.82 -9.78 59.51 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.192 1.397 . . . . 0.0 113.479 177.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -156.01 70.49 5.15 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.67 1.988 . . . . 0.0 110.657 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -66.77 -13.19 38.97 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 124.02 3.146 . . . . 0.0 115.871 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.48 165.9 26.65 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.614 1.102 . . . . 0.0 113.714 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.55 -14.95 27.64 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 123.88 3.054 . . . . 0.0 114.218 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 125.885 1.674 . . . . 0.0 111.752 179.751 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo . . . . . 0 CA--C 1.538 0.694 0 N-CA-C 114.583 0.955 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -71.76 115.3 10.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.797 1.239 . . . . 0.0 109.517 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -141.16 173.34 11.58 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.603 1.561 . . . . 0.0 112.093 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 49.9 m -121.41 -171.75 2.28 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.265 1.826 . . . . 0.0 111.711 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 44.8 pt -131.31 172.01 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.654 1.581 . . . . 0.0 111.366 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -132.79 148.84 71.08 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.451 1.1 . . . . 0.0 113.12 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.84 -25.59 32.96 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.657 2.905 . . . . 0.0 114.259 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.1 p -58.27 -36.51 73.37 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.769 1.628 . . . . 0.0 113.186 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.68 -41.9 82.51 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.634 1.173 . . . . 0.0 112.736 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -34.64 76.21 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.059 0.544 . . . . 0.0 111.502 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.21 -40.43 82.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.899 -0.5 . . . . 0.0 110.374 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.2 -34.39 77.92 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.792 0.837 . . . . 0.0 111.151 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.55 -44.01 83.51 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.407 -0.808 . . . . 0.0 109.974 175.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.66 -48.63 80.91 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.717 0.69 . . . . 0.0 111.595 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -63.19 -35.0 78.85 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.383 0.992 . . . . 0.0 111.871 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.4 m -62.11 -48.53 79.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.22 1.008 . . . . 0.0 110.361 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.18 -37.61 88.1 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.736 0.815 . . . . 0.0 112.094 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -63.31 -35.48 80.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.6 0.76 . . . . 0.0 112.706 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.9 m -70.62 152.25 95.32 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 110.662 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.51 152.48 80.02 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.949 2.433 . . . . 0.0 114.501 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 14.0 p -61.85 133.66 55.74 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.038 1.735 . . . . 0.0 114.356 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 92.3 p -168.77 161.3 8.37 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 126.574 1.95 . . . . 0.0 110.44 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.63 -34.9 75.48 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.668 2.245 . . . . 0.0 111.83 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -66.59 -39.95 88.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.756 1.222 . . . . 0.0 111.506 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -45.04 87.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.414 0.686 . . . . 0.0 111.065 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -61.11 -44.7 96.95 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.228 1.011 . . . . 0.0 110.58 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.1 -36.86 85.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.965 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -58.32 -40.48 82.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.194 0.906 . . . . 0.0 111.849 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 92.1 t -60.89 -46.66 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.81 0.732 . . . . 0.0 109.972 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.92 -36.84 77.87 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.828 0.74 . . . . 0.0 111.955 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -63.06 -47.62 82.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.365 0.984 . . . . 0.0 110.923 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.46 -46.12 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.462 1.505 . . . . 0.0 110.595 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.36 -43.62 85.48 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.055 0.942 . . . . 0.0 111.842 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -66.17 -19.63 65.89 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.955 1.252 . . . . 0.0 113.388 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.5 m -80.26 -8.55 59.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.01 0.924 . . . . 0.0 111.873 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -140.33 62.74 20.69 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 127.681 2.392 . . . . 0.0 109.405 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -56.33 -28.66 73.22 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.144 2.563 . . . . 0.0 115.497 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -51.49 -48.15 62.99 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.938 1.295 . . . . 0.0 112.874 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.58 -32.6 36.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.0 ppp? -80.33 -37.86 31.7 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.624 1.102 . . . . 0.0 113.673 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.72 70.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.665 0.666 . . . . 0.0 112.028 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.46 -42.39 78.83 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.998 -0.439 . . . . 0.0 111.002 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.75 -52.87 63.27 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 111.979 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -37.89 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.089 0.858 . . . . 0.0 113.244 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -52.86 -32.77 46.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.304 0.956 . . . . 0.0 113.129 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -95.3 -40.72 9.4 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.805 0.842 . . . . 0.0 111.349 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -61.65 -30.98 71.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.0 t -55.46 -31.69 62.17 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.41 1.005 . . . . 0.0 112.775 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.88 58.97 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.042 1.337 . . . . 0.0 113.924 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -135.2 14.29 3.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.661 2.384 . . . . 0.0 113.433 -176.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.05 4.57 0.64 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 -175.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 9.7 p -56.61 -22.21 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.974 1.71 . . . . 0.0 113.159 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -56.22 -19.99 16.26 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.951 1.7 . . . . 0.0 114.631 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -123.27 19.31 9.83 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.291 1.437 . . . . 0.0 112.294 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -134.63 155.99 79.08 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.674 1.189 . . . . 0.0 112.457 -173.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.32 14.71 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.32 0 C-N-CA 124.263 3.308 . . . . 0.0 115.138 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -87.49 -8.64 73.76 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.99 1.281 . . . . 0.0 115.478 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.1 173.44 10.07 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.724 1.262 . . . . 0.0 113.389 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 125.119 1.368 . . . . 0.0 112.579 -179.684 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 CA--C 1.538 0.698 0 N-CA-C 113.97 0.719 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.75 171.57 13.87 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.17 1.788 . . . . 0.0 112.441 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -142.13 165.11 28.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.251 1.82 . . . . 0.0 110.92 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -63.69 9.07 0.07 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -118.62 7.52 11.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.042 2.137 . . . . 0.0 111.856 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p -99.11 156.75 16.78 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.393 1.077 . . . . 0.0 113.367 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -54.01 -40.03 66.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.524 0.73 . . . . 0.0 112.247 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -60.85 -35.5 76.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.385 1.074 . . . . 0.0 112.773 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -77.39 -30.85 53.85 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.71 -40.31 72.24 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.707 -0.621 . . . . 0.0 110.7 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -67.21 -15.68 63.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -88.65 -31.6 18.46 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.138 0.975 . . . . 0.0 111.078 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.26 -47.15 36.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.517 1.127 . . . . 0.0 112.939 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.36 -54.26 55.0 Favored Pre-proline 0 CA--C 1.551 0.984 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . 0.264 28.9 Cg_endo -61.59 9.69 0.08 OUTLIER 'Trans proline' 0 CA--C 1.538 0.688 1 C-N-CA 125.547 4.164 . . . . 0.0 119.238 -174.866 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.96 -16.72 32.48 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 120.673 1.579 . . . . 0.0 112.933 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -107.57 15.39 24.8 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.349 2.26 . . . . 0.0 112.718 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.25 6.82 3.08 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.404 1.881 . . . . 0.0 113.147 -177.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.82 -18.11 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.772 2.029 . . . . 0.0 116.234 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -133.69 -6.26 2.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 41.9 t -157.7 129.85 4.13 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 124.256 1.022 . . . . 0.0 111.656 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -86.58 3.93 6.56 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.515 3.477 . . . . 0.0 115.067 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.95 120.12 78.36 Favored Pre-proline 0 CA--C 1.554 1.123 0 O-C-N 120.426 -1.421 . . . . 0.0 112.721 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -83.42 179.14 5.19 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 124.267 3.311 . . . . 0.0 112.64 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 59.7 m -64.43 129.57 40.41 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.507 0.723 . . . . 0.0 109.381 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -73.48 15.89 0.23 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.58 -3.87 39.91 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.23 1.812 . . . . 0.0 115.542 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 52.6 mtp -70.4 51.05 0.13 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.673 1.989 . . . . 0.0 115.344 -177.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -64.29 -43.62 94.18 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.884 -1.135 . . . . 0.0 113.621 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -150.31 -20.11 0.24 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.75 139.19 58.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.276 1.43 . . . . 0.0 113.606 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttm -158.3 155.29 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.015 1.326 . . . . 0.0 111.865 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.53 167.95 8.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.965 1.306 . . . . 0.0 113.43 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 21.9 p -133.62 171.84 8.4 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 128.552 2.741 . . . . 0.0 110.602 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -62.5 -22.98 74.69 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 121.566 1.511 . . . . 0.0 112.495 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.0 -30.65 71.65 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.526 1.13 . . . . 0.0 111.863 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.28 -28.57 57.08 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.68 -36.06 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.89 0.73 50.07 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.459 -0.776 . . . . 0.0 112.77 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.12 -57.87 3.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.781 -1.199 . . . . 0.0 111.821 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -23.6 66.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -174.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.04 -13.64 35.52 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -15.59 62.09 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -63.1 -12.35 26.5 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.957 1.303 . . . . 0.0 113.73 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -122.17 76.26 41.71 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.545 1.938 . . . . 0.0 109.907 176.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -69.18 -27.53 29.13 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.342 2.695 . . . . 0.0 114.306 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.83 178.24 26.36 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.557 1.075 . . . . 0.0 114.452 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -76.77 -4.0 14.44 Favored 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 124.633 3.556 . . . . 0.0 114.46 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 125.865 1.666 . . . . 0.0 112.631 -179.02 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo . . . . . 0 CA--C 1.54 0.784 0 N-CA-C 114.586 0.956 . . . . 0.0 114.586 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 65.0 t30 -143.37 28.51 1.49 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.907 1.683 . . . . 0.0 112.263 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -59.31 126.17 26.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.298 1.839 . . . . 0.0 113.051 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 98.2 p -165.94 -169.18 1.43 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.438 1.895 . . . . 0.0 111.155 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2063 ' ' ILE . . . . . 0.403 ' CG2' HE21 ' A' 2096 ' ' GLN . 37.5 pt -136.03 161.54 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.933 1.693 . . . . 0.0 110.276 175.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 16.8 m -154.74 146.87 17.33 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.844 1.258 . . . . 0.0 111.502 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.79 -19.87 26.88 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.608 2.872 . . . . 0.0 113.612 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 35.4 p -57.74 -33.68 68.71 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.298 0.954 . . . . 0.0 112.788 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.28 67.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.425 1.09 . . . . 0.0 112.752 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.03 -46.07 68.88 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.967 0.907 . . . . 0.0 109.974 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.22 -38.71 91.26 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.493 -0.755 . . . . 0.0 110.837 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -37.94 88.02 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.522 0.729 . . . . 0.0 111.787 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.42 -49.09 75.12 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.646 0.778 . . . . 0.0 109.286 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.49 -47.34 84.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.284 0.633 . . . . 0.0 112.402 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -62.97 -27.24 69.26 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.184 0.902 . . . . 0.0 112.916 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 91.5 m -79.07 -43.69 23.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.465 1.106 . . . . 0.0 110.992 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.36 -33.45 74.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.148 1.779 . . . . 0.0 112.887 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 55.5 mttm -72.73 40.99 0.09 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.203 1.801 . . . . 0.0 114.411 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.7 m -147.1 168.69 10.8 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 128.138 2.575 . . . . 0.0 110.801 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -54.6 149.99 37.33 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.95 3.1 . . . . 0.0 114.738 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 74.6 m -73.09 126.7 30.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.371 1.068 . . . . 0.0 112.382 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.4 p -163.88 158.45 16.62 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 124.923 1.289 . . . . 0.0 111.909 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.89 -23.98 74.25 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 121.888 1.725 . . . . 0.0 111.633 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.82 -42.36 77.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.181 0.992 . . . . 0.0 110.61 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.86 -45.97 91.46 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.681 -0.637 . . . . 0.0 109.824 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.53 -45.27 89.22 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.21 0.604 . . . . 0.0 110.788 176.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.15 -42.69 91.3 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.54 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -63.9 -42.61 97.39 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.893 1.224 . . . . 0.0 111.908 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 76.9 t -62.1 -42.5 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.332 0.969 . . . . 0.0 110.355 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.76 -39.32 93.8 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.405 -0.81 . . . . 0.0 111.379 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.86 -44.07 97.52 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.403 1.001 . . . . 0.0 110.514 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 56.0 mt -63.93 -42.17 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.426 1.491 . . . . 0.0 110.922 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 -36.1 69.17 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.324 1.05 . . . . 0.0 113.11 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.22 -24.8 60.43 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.752 1.221 . . . . 0.0 113.969 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.8 m -78.61 -6.77 56.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.462 1.105 . . . . 0.0 113.325 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -146.79 64.68 9.4 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 127.615 2.366 . . . . 0.0 109.356 -178.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -62.07 -23.54 75.75 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.506 2.804 . . . . 0.0 115.673 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2096 ' ' GLN . . . . . 0.403 HE21 ' CG2' ' A' 2063 ' ' ILE . 4.5 mp0 -45.87 -47.64 16.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.148 1.379 . . . . 0.0 113.562 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.01 -34.71 24.25 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 7.4 ptm -80.17 -34.64 37.38 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.489 1.04 . . . . 0.0 113.317 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.77 81.75 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.387 0.54 . . . . 0.0 111.764 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.08 83.14 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.617 -0.677 . . . . 0.0 111.499 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.77 -52.94 61.25 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.637 0.375 . . . . 0.0 111.862 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -43.24 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 118.937 0.79 . . . . 0.0 111.846 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -63.07 -14.84 53.22 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.71 -41.74 7.55 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.495 1.118 . . . . 0.0 110.346 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -58.0 -42.04 84.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.404 1.882 . . . . 0.0 112.052 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.1 t -58.17 -30.09 66.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.173 1.389 . . . . 0.0 113.937 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.39 75.07 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.095 -1.003 . . . . 0.0 112.975 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 26.9 tptp -89.7 -18.31 26.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.521 1.128 . . . . 0.0 112.136 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.65 21.99 0.14 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.329 2.252 . . . . 0.0 114.458 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 21.7 t -99.33 69.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.831 1.652 . . . . 0.0 109.0 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -145.14 -6.87 0.64 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -146.65 126.5 13.54 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.549 1.54 . . . . 0.0 109.341 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -159.0 147.15 13.71 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.188 1.395 . . . . 0.0 111.644 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.21 -19.58 13.39 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.467 2.778 . . . . 0.0 113.681 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -79.39 75.21 2.12 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.696 1.617 . . . . 0.0 113.063 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 70.5 mtm -130.46 157.01 43.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.895 1.278 . . . . 0.0 112.691 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 125.347 1.459 . . . . 0.0 112.094 177.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo . . . . . 0 CA--C 1.539 0.731 0 N-CA-C 114.152 0.789 . . . . 0.0 114.152 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.15 176.13 11.11 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.358 1.863 . . . . 0.0 111.623 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -135.85 157.06 47.79 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 15.27 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.497 2.319 . . . . 0.0 115.9 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -128.4 19.3 6.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.142 2.177 . . . . 0.0 110.976 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.9 p -130.88 -171.4 2.56 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.45 1.9 . . . . 0.0 111.748 -176.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.55 -34.04 3.1 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.703 1.601 . . . . 0.0 113.985 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -53.99 -36.64 63.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.526 1.13 . . . . 0.0 113.338 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.06 -26.33 27.05 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.56 -38.77 88.68 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.755 -0.591 . . . . 0.0 109.675 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -66.12 -20.95 66.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -83.02 -6.34 59.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.531 1.133 . . . . 0.0 112.407 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -119.14 -45.39 2.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.552 1.541 . . . . 0.0 112.481 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.54 -50.78 74.87 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.36 -9.33 0.12 Allowed 'Trans proline' 0 CA--C 1.536 0.586 1 C-N-CA 125.792 4.328 . . . . 0.0 118.36 -175.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.93 -26.75 68.96 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.405 1.457 . . . . 0.0 112.893 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.7 -5.37 55.85 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.053 1.341 . . . . 0.0 113.595 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.72 139.87 40.63 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.312 -0.868 . . . . 0.0 112.415 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.8 t -155.12 122.98 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 127.837 2.455 . . . . 0.0 104.816 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -111.74 133.96 53.62 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 126.196 1.798 . . . . 0.0 111.582 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.9 p -162.32 -179.09 0.95 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 127.528 2.331 . . . . 0.0 108.749 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.78 -11.97 33.86 Favored 'Trans proline' 0 CA--C 1.549 1.264 0 CA-C-N 122.137 1.799 . . . . 0.0 113.269 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -137.3 74.2 48.79 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 127.039 2.136 . . . . 0.0 110.088 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.07 -29.39 22.46 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.896 2.397 . . . . 0.0 113.149 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.8 t -161.19 141.4 10.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.066 1.746 . . . . 0.0 110.118 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -99.57 1.92 44.22 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.882 0.873 . . . . 0.0 112.655 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.72 -26.64 50.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.747 1.219 . . . . 0.0 112.944 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.4 -1.56 0.8 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.248 2.219 . . . . 0.0 115.061 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -59.34 -32.88 70.5 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.18 2.192 . . . . 0.0 115.01 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -146.95 16.94 1.23 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp -144.03 155.94 44.19 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.898 -1.126 . . . . 0.0 113.723 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.5 tpp -160.51 166.98 28.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.22 1.808 . . . . 0.0 110.687 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.02 175.21 1.27 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.235 1.414 . . . . 0.0 113.285 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -131.98 160.87 65.89 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 128.083 2.553 . . . . 0.0 110.014 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -56.08 -22.62 40.19 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.138 1.892 . . . . 0.0 112.014 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.19 -35.76 74.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 112.393 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.44 -30.3 68.19 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.006 0.922 . . . . 0.0 111.765 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 11.0 mt -77.71 -45.56 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.477 1.111 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.29 -5.29 38.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.48 -0.762 . . . . 0.0 112.979 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -59.99 2.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.794 1.238 . . . . 0.0 112.628 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -26.43 68.1 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -172.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -10.28 49.08 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -24.3 25.86 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -174.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.26 162.65 14.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.27 165.08 20.01 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 128.687 2.795 . . . . 0.0 109.123 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.06 -16.43 52.27 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.94 3.093 . . . . 0.0 114.865 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.09 63.2 0.08 OUTLIER Glycine 0 CA--C 1.538 1.515 0 CA-C-O 118.569 -1.128 . . . . 0.0 114.012 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -78.59 -169.37 0.77 Allowed 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.154 3.236 . . . . 0.0 111.714 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 126.176 1.79 . . . . 0.0 112.838 179.072 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 CA--C 1.542 0.921 0 N-CA-C 114.035 0.744 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 62.6 t30 -138.24 26.07 2.67 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.912 1.685 . . . . 0.0 112.678 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.54 179.15 7.88 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.258 1.423 . . . . 0.0 113.751 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 8.3 t -137.75 -161.18 1.14 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.848 2.059 . . . . 0.0 110.089 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 39.2 pt -126.0 161.49 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.344 1.457 . . . . 0.0 112.371 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 75.0 m -141.33 139.83 19.67 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.29 1.436 . . . . 0.0 110.419 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -64.3 -25.71 64.23 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.1 2.533 . . . . 0.0 113.694 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.4 p -65.01 -35.13 80.19 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.923 1.289 . . . . 0.0 113.464 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.8 74.02 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.678 -0.639 . . . . 0.0 112.237 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.9 -34.99 74.26 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.538 -0.727 . . . . 0.0 110.356 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.88 -34.24 76.28 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.502 -0.748 . . . . 0.0 110.069 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.68 -31.04 71.46 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.157 0.983 . . . . 0.0 111.213 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.6 tt -68.09 -39.39 82.89 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.797 -1.19 . . . . 0.0 109.349 172.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.77 -41.21 99.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.421 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -59.75 -31.24 69.46 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.141 1.791 . . . . 0.0 111.743 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 36.2 m -72.84 -42.77 63.41 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.258 1.423 . . . . 0.0 110.238 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.59 -40.62 97.48 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.857 1.263 . . . . 0.0 111.575 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -71.6 6.86 1.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.548 1.539 . . . . 0.0 113.878 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.8 m -121.69 150.62 55.71 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.283 1.833 . . . . 0.0 110.825 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -69.35 152.18 71.42 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.293 2.662 . . . . 0.0 114.435 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.0 m -61.05 136.9 58.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.685 1.594 . . . . 0.0 114.013 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 79.4 p -166.09 164.0 11.59 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.827 2.051 . . . . 0.0 109.724 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.01 -32.97 88.07 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.362 2.042 . . . . 0.0 111.711 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -68.86 -44.26 73.69 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.231 . . . . 0.0 110.784 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.54 98.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.812 0.845 . . . . 0.0 111.049 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.34 -47.01 85.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.42 1.088 . . . . 0.0 110.533 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -64.92 -38.82 92.24 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.901 -0.499 . . . . 0.0 112.019 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -57.96 -48.03 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.371 0.987 . . . . 0.0 111.354 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 93.3 t -57.5 -49.75 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.703 0.683 . . . . 0.0 110.315 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.28 -42.89 96.41 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.86 -47.76 81.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.256 0.934 . . . . 0.0 111.732 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 70.4 mt -62.4 -43.13 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 110.834 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.7 mt -66.73 -46.56 75.07 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.612 -0.68 . . . . 0.0 111.394 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -63.35 -19.57 64.75 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.133 -0.979 . . . . 0.0 113.307 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 59.9 m -78.17 -7.93 57.67 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.102 0.961 . . . . 0.0 111.968 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -137.44 58.02 15.92 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 127.33 2.252 . . . . 0.0 110.863 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.35 -35.43 44.37 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 123.688 2.926 . . . . 0.0 115.967 -175.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -52.23 -48.68 65.02 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.207 1.403 . . . . 0.0 112.928 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -35.34 23.93 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -73.13 -36.14 66.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.477 1.035 . . . . 0.0 113.451 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.9 83.94 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.975 0.807 . . . . 0.0 111.795 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.99 62.73 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 122.035 -0.416 . . . . 0.0 110.325 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.83 -52.86 63.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.145 0.978 . . . . 0.0 113.508 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -58.37 -42.31 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.932 0.787 . . . . 0.0 110.745 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -66.16 -26.07 67.25 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.021 -1.049 . . . . 0.0 113.259 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.71 -43.54 62.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.931 1.241 . . . . 0.0 109.569 171.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -45.05 89.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.164 1.786 . . . . 0.0 112.717 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 1.8 t -61.76 -38.33 87.6 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.316 1.447 . . . . 0.0 113.05 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.28 -11.91 17.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.361 1.064 . . . . 0.0 113.204 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.78 19.5 6.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.251 2.621 . . . . 0.0 112.068 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 1.1 t80 -138.22 30.47 2.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.889 2.476 . . . . 0.0 111.648 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 9.9 p -119.22 19.85 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 127.236 2.214 . . . . 0.0 111.32 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -62.37 165.92 5.57 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.536 1.934 . . . . 0.0 114.631 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -57.27 149.39 20.22 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.925 1.29 . . . . 0.0 112.067 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -107.31 150.8 40.45 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.486 1.114 . . . . 0.0 112.515 -177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -56.14 157.48 17.25 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.771 2.981 . . . . 0.0 113.504 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -164.68 53.24 0.28 Allowed Glycine 0 N--CA 1.472 1.08 0 C-N-CA 123.633 0.635 . . . . 0.0 114.054 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 92.4 mtp -134.01 161.85 33.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.19 1.396 . . . . 0.0 112.221 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 125.249 1.419 . . . . 0.0 112.455 179.733 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo . . . . . 0 CA--C 1.541 0.865 0 N-CA-C 113.736 0.629 . . . . 0.0 113.736 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -134.9 178.52 6.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.303 2.241 . . . . 0.0 111.403 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -57.95 133.13 55.21 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.248 -0.908 . . . . 0.0 113.348 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -80.99 43.77 0.72 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.689 1.595 . . . . 0.0 113.477 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -142.07 1.12 1.42 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.127 2.171 . . . . 0.0 112.754 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p -85.43 -176.37 6.08 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.787 2.035 . . . . 0.0 111.847 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.54 -36.3 10.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -64.06 -23.69 67.42 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.434 1.094 . . . . 0.0 113.903 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -90.83 -28.32 18.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.193 0.997 . . . . 0.0 111.281 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.52 -32.94 69.31 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.425 -0.797 . . . . 0.0 111.595 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -64.44 -32.14 73.64 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.853 0.751 . . . . 0.0 112.302 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -84.4 -30.33 25.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.887 1.675 . . . . 0.0 113.587 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.01 -27.05 68.04 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 mt -57.81 112.04 4.26 Favored Pre-proline 0 CA--C 1.552 1.036 0 CA-C-N 119.99 1.268 . . . . 0.0 111.585 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -89.68 -16.97 1.85 Allowed 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.328 2.686 . . . . 0.0 115.563 -175.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -119.79 -5.48 10.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.77 25.39 3.08 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.006 1.723 . . . . 0.0 109.932 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -55.29 -42.49 73.68 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.669 1.188 . . . . 0.0 113.243 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.31 -18.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 128.267 2.627 . . . . 0.0 113.245 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.67 169.65 9.1 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.078 2.151 . . . . 0.0 112.716 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 45.8 p -136.31 51.13 4.71 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.389 1.476 . . . . 0.0 114.062 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.44 -25.43 11.2 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 123.05 2.5 . . . . 0.0 114.493 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.93 150.8 95.1 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 123.955 0.902 . . . . 0.0 112.648 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -48.44 170.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 125.434 4.089 . . . . 0.0 118.785 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -62.66 -8.12 6.02 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.703 2.401 . . . . 0.0 115.598 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -55.52 138.33 46.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.581 1.552 . . . . 0.0 113.029 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.49 -160.7 1.08 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.964 1.706 . . . . 0.0 110.127 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 10.1 mtp -76.3 31.71 0.12 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.242 1.417 . . . . 0.0 113.76 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.38 -33.16 69.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.986 1.715 . . . . 0.0 115.48 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -147.21 26.22 1.08 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.706 1.202 . . . . 0.0 113.034 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.62 157.77 42.6 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.986 1.314 . . . . 0.0 113.279 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -155.16 147.05 23.43 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.266 1.426 . . . . 0.0 111.376 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.7 163.35 19.26 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.359 1.064 . . . . 0.0 112.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.3 m -131.0 155.93 80.86 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 126.594 1.958 . . . . 0.0 110.138 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.28 -25.21 79.61 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.722 2.282 . . . . 0.0 113.808 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.92 -35.01 74.0 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.041 0.936 . . . . 0.0 112.555 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.61 -28.88 64.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.099 0.96 . . . . 0.0 111.639 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 21.8 mt -82.55 -42.13 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.198 1.399 . . . . 0.0 111.364 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.08 -2.83 13.97 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.263 -1.523 . . . . 0.0 113.587 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -44.35 20.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.951 1.3 . . . . 0.0 113.897 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -18.34 55.14 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -9.2 50.92 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.6 t -57.98 -23.83 55.56 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.184 1.394 . . . . 0.0 114.699 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -72.35 13.14 0.36 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.058 1.743 . . . . 0.0 114.799 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -125.99 70.43 67.42 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.694 1.998 . . . . 0.0 110.238 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.73 -23.35 19.44 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.895 3.063 . . . . 0.0 115.591 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -179.16 40.92 Favored Glycine 0 CA--C 1.539 1.59 0 CA-C-N 119.252 0.933 . . . . 0.0 114.649 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.23 -18.58 23.38 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.151 3.234 . . . . 0.0 114.297 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 125.725 1.61 . . . . 0.0 111.888 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 0 CA--C 1.538 0.703 0 N-CA-C 114.795 1.036 . . . . 0.0 114.795 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -73.13 -12.77 61.02 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -144.52 165.38 28.13 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.614 1.966 . . . . 0.0 111.889 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 84.4 p -116.0 -7.17 11.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.917 1.687 . . . . 0.0 115.044 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 3.9 pt -158.17 162.51 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 129.352 3.061 . . . . 0.0 108.858 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -125.21 142.68 42.12 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.67 -18.68 37.3 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.656 2.904 . . . . 0.0 113.013 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 18.1 p -54.27 -35.53 62.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.426 1.09 . . . . 0.0 112.134 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.88 62.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.286 1.435 . . . . 0.0 113.233 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.6 mp -68.43 -43.32 77.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.018 0.927 . . . . 0.0 110.408 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -68.45 -42.5 78.74 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.947 -0.47 . . . . 0.0 110.841 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -63.64 -35.86 81.92 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.771 -0.581 . . . . 0.0 111.965 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.84 -49.9 68.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.199 -0.938 . . . . 0.0 109.322 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.79 -39.33 88.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.483 -0.77 . . . . 0.0 112.838 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -67.39 -31.65 72.01 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.221 1.373 . . . . 0.0 111.658 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.3 m -72.0 -38.3 69.68 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.884 1.274 . . . . 0.0 111.514 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.08 -36.39 70.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.342 1.457 . . . . 0.0 111.334 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.49 -26.51 65.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.2 m -64.81 154.9 84.53 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.189 0.996 . . . . 0.0 113.165 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -72.55 169.0 22.88 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.817 2.345 . . . . 0.0 111.027 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.7 m -62.99 97.26 0.1 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.862 1.265 . . . . 0.0 110.843 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 46.4 p -148.52 159.18 39.3 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -67.79 -18.92 47.53 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.366 2.044 . . . . 0.0 111.631 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -68.27 -40.13 81.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.294 -0.879 . . . . 0.0 110.048 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -63.94 -42.75 97.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.524 0.73 . . . . 0.0 110.52 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -56.59 -49.21 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.843 0.857 . . . . 0.0 110.404 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.81 -41.97 92.46 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.16 0.436 . . . . 0.0 111.509 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -63.04 -44.33 96.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.21 0.913 . . . . 0.0 112.385 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.9 t -58.33 -45.89 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.626 0.648 . . . . 0.0 109.843 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.24 -41.76 98.71 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.635 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -57.29 -46.98 82.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.515 1.507 . . . . 0.0 111.466 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.0 -49.11 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.927 1.291 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.79 -39.43 80.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.819 0.847 . . . . 0.0 113.176 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -67.78 -16.68 64.24 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.773 1.17 . . . . 0.0 112.696 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 51.3 m -88.93 -8.89 53.33 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.715 1.206 . . . . 0.0 111.812 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -140.81 53.79 4.12 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 127.389 2.275 . . . . 0.0 110.057 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.84 -20.38 66.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.946 2.43 . . . . 0.0 115.121 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -55.02 -46.65 75.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.204 1.402 . . . . 0.0 111.546 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.58 -28.52 28.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.72 0.808 . . . . 0.0 112.777 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 47.6 ttp -69.72 -48.55 59.09 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.96 0.8 . . . . 0.0 112.535 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.27 70.63 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.934 -0.479 . . . . 0.0 111.311 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.15 -53.08 13.77 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.98 1.312 . . . . 0.0 112.818 178.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -47.24 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.834 0.854 . . . . 0.0 112.316 -176.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 24.8 mttt -62.52 -18.21 61.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.03 -41.29 7.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 110.742 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.96 -38.62 86.56 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.148 1.779 . . . . 0.0 112.62 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 11.8 t -54.18 -29.19 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.108 0.963 . . . . 0.0 113.121 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.46 58.03 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -122.67 -7.27 8.56 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.789 2.036 . . . . 0.0 113.486 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 22.9 t80 -120.72 19.06 11.9 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.941 1.696 . . . . 0.0 114.661 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 4.1 p -65.27 -30.37 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.687 1.195 . . . . 0.0 111.36 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -76.49 149.61 36.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.117 1.367 . . . . 0.0 112.76 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.02 178.67 2.62 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.482 1.513 . . . . 0.0 112.777 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.78 149.43 22.56 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.497 1.119 . . . . 0.0 111.833 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.15 -2.99 12.87 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 123.801 3.0 . . . . 0.0 115.305 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 120.44 -12.99 10.23 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 125.157 1.36 . . . . 0.0 114.769 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 18.9 ptp -68.42 174.81 3.78 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.628 1.171 . . . . 0.0 113.44 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 . . . . . 0 C--O 1.24 0.587 0 C-N-CA 125.24 1.416 . . . . 0.0 111.793 -179.064 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 CA--C 1.541 0.855 0 N-CA-C 113.512 0.543 . . . . 0.0 113.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -133.61 -9.77 2.8 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.432 1.893 . . . . 0.0 114.029 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 13.9 m -167.34 161.07 13.97 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.672 2.789 . . . . 0.0 108.927 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -131.47 20.33 4.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.038 0.935 . . . . 0.0 112.66 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.08 6.49 8.56 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.034 2.134 . . . . 0.0 112.043 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -99.18 -151.29 0.39 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 128.541 2.737 . . . . 0.0 109.28 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -46.02 -33.01 3.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.244 1.417 . . . . 0.0 113.608 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.0 t -56.78 -33.01 66.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.259 1.424 . . . . 0.0 113.448 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.43 -25.78 51.01 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.145 0.978 . . . . 0.0 113.341 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.4 -37.54 87.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.058 0.543 . . . . 0.0 110.684 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -59.26 -27.78 66.12 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -74.99 -23.06 58.2 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.663 1.185 . . . . 0.0 112.207 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt -106.0 -43.32 4.88 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -174.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.01 -46.29 53.55 Favored Pre-proline 0 N--CA 1.481 1.092 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.61 -10.11 0.8 Allowed 'Trans proline' 0 CA--C 1.54 0.787 1 C-N-CA 125.948 4.432 . . . . 0.0 117.336 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -62.26 -28.89 70.02 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.122 1.328 . . . . 0.0 112.864 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -70.13 -32.31 70.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.045 0.938 . . . . 0.0 110.755 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 58.79 -174.82 0.09 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 128.721 2.808 . . . . 0.0 114.519 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -96.74 -18.74 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.733 1.213 . . . . 0.0 113.422 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.84 3.77 3.92 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.559 1.943 . . . . 0.0 115.131 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 91.0 p -59.3 153.51 47.48 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.044 1.337 . . . . 0.0 113.023 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -68.31 -21.53 41.23 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.788 2.325 . . . . 0.0 113.815 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 64.4 mt -82.29 120.77 77.75 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.422 1.089 . . . . 0.0 110.974 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.11 175.96 10.31 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.639 2.892 . . . . 0.0 113.399 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m -61.97 -13.02 21.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.604 1.962 . . . . 0.0 115.283 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -70.92 12.64 0.26 Allowed 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.637 1.718 . . . . 0.0 115.637 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.78 -21.99 66.27 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.681 1.593 . . . . 0.0 114.47 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 5.1 mmt -82.03 35.46 0.43 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.511 1.924 . . . . 0.0 113.835 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -58.66 -38.72 78.77 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -147.93 26.52 1.0 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.51 1.124 . . . . 0.0 113.529 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.92 154.81 43.72 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.497 1.519 . . . . 0.0 111.878 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -157.73 155.84 30.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.712 1.605 . . . . 0.0 110.957 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 146.71 9.1 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.464 1.506 . . . . 0.0 113.565 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -150.82 169.44 9.26 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 127.401 2.281 . . . . 0.0 111.097 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.24 -28.18 51.03 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.934 2.423 . . . . 0.0 114.216 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.11 -35.49 71.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.051 1.34 . . . . 0.0 112.954 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.38 -30.0 66.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.978 0.911 . . . . 0.0 111.876 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 mt -81.76 -46.29 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.171 1.388 . . . . 0.0 111.722 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.56 -2.67 17.78 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -81.26 -60.06 2.42 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.11 1.364 . . . . 0.0 111.91 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -22.43 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -174.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -10.58 59.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.281 -0.887 . . . . 0.0 113.288 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.28 -13.48 58.41 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.172 1.389 . . . . 0.0 113.978 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -54.12 145.3 17.41 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -136.45 140.66 33.1 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.434 1.894 . . . . 0.0 110.302 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.2 -11.64 32.98 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.065 3.176 . . . . 0.0 116.56 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.57 59.71 0.18 Allowed Glycine 0 CA--C 1.538 1.513 0 CA-C-N 120.564 1.529 . . . . 0.0 116.478 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.19 -17.65 24.31 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 123.28 2.653 . . . . 0.0 113.559 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t0 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 126.216 1.806 . . . . 0.0 111.751 179.806 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo . . . . . 0 CA--C 1.539 0.726 0 N-CA-C 114.429 0.896 . . . . 0.0 114.429 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -53.56 -15.75 1.26 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 49.3 tpt85 -119.17 -3.69 10.57 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.445 1.898 . . . . 0.0 113.188 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 27.6 m -92.17 171.93 8.76 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.151 1.78 . . . . 0.0 113.252 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.5 pt -143.74 163.85 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 127.241 2.216 . . . . 0.0 109.267 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -128.67 136.19 28.75 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.031 0.932 . . . . 0.0 111.899 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.42 -22.17 39.55 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.939 2.426 . . . . 0.0 113.607 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.7 p -56.8 -33.88 67.13 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.366 0.985 . . . . 0.0 112.682 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.08 -31.6 69.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.962 1.305 . . . . 0.0 113.01 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.78 -42.09 77.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.863 0.865 . . . . 0.0 109.657 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -37.62 88.08 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.426 -0.797 . . . . 0.0 110.845 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -65.69 -36.13 82.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.6 -0.688 . . . . 0.0 112.102 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.55 -45.11 95.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.291 -0.881 . . . . 0.0 109.651 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.2 -44.56 95.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.772 -0.632 . . . . 0.0 112.319 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -63.13 -35.08 79.1 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.821 1.191 . . . . 0.0 111.645 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.2 m -66.56 -46.16 76.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.429 1.091 . . . . 0.0 110.528 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.93 -39.85 93.48 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -70.28 -16.2 62.99 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.0 m -82.98 157.71 65.86 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.611 1.164 . . . . 0.0 110.167 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.0 145.91 80.93 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.591 2.194 . . . . 0.0 113.698 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 52.8 m -64.0 132.68 51.35 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.596 . . . . 0.0 113.993 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 86.4 p -168.37 162.69 8.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 126.206 1.802 . . . . 0.0 110.856 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.12 -34.26 77.59 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.644 2.229 . . . . 0.0 111.725 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -67.96 -37.68 81.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.73 1.212 . . . . 0.0 111.291 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -66.67 -42.95 85.76 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.338 -0.851 . . . . 0.0 111.053 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.13 -46.58 87.99 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.824 0.85 . . . . 0.0 109.72 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.66 -37.03 77.63 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.131 0.972 . . . . 0.0 112.199 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -62.1 -43.21 99.34 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.245 1.384 . . . . 0.0 112.31 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 75.2 t -62.27 -42.59 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.474 1.034 . . . . 0.0 110.035 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.97 -39.28 88.96 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -62.17 -46.37 89.27 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.941 1.246 . . . . 0.0 111.183 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 65.1 mt -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.261 1.425 . . . . 0.0 110.341 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.48 -42.18 87.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.716 1.207 . . . . 0.0 112.0 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -63.42 -20.06 65.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.502 1.121 . . . . 0.0 112.998 176.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 46.5 m -87.06 -7.89 57.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.722 1.209 . . . . 0.0 112.174 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -141.17 57.37 7.54 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 128.036 2.534 . . . . 0.0 109.198 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.39 -21.9 69.32 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.187 2.591 . . . . 0.0 116.188 -171.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.55 -49.2 73.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.17 0.988 . . . . 0.0 112.096 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.72 -27.21 50.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 31.8 ttp -74.48 -49.35 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.609 0.763 . . . . 0.0 112.61 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.61 80.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.59 0.756 . . . . 0.0 112.006 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.72 87.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.5 0.72 . . . . 0.0 112.041 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 54.9 t80 -73.24 -52.7 13.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.715 0.806 . . . . 0.0 112.814 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -37.17 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.442 -0.786 . . . . 0.0 112.485 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -57.03 -23.59 47.52 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -98.64 -34.91 10.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.185 0.902 . . . . 0.0 111.942 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -63.16 -35.43 80.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.592 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 12.9 t -54.91 -34.11 62.8 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.039 0.836 . . . . 0.0 112.977 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -70.75 -9.89 58.29 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.701 1.201 . . . . 0.0 114.23 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -115.66 -8.84 12.04 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.648 1.979 . . . . 0.0 113.025 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.26 144.09 50.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.834 1.254 . . . . 0.0 110.663 177.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 38.2 t -130.5 101.06 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.527 1.131 . . . . 0.0 110.533 -177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -144.65 159.57 42.61 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.256 1.823 . . . . 0.0 110.965 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -61.76 151.31 34.41 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.29 0.636 . . . . 0.0 111.721 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -136.98 148.52 63.26 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.943 1.297 . . . . 0.0 111.753 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.92 157.28 16.98 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.925 3.084 . . . . 0.0 114.204 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 167.06 -5.11 0.05 OUTLIER Glycine 0 CA--C 1.54 1.617 0 N-CA-C 116.913 1.525 . . . . 0.0 116.913 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.34 -162.9 1.57 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.366 1.466 . . . . 0.0 110.722 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 48.2 tp60 . . . . . 0 N--CA 1.47 0.541 0 C-N-CA 126.371 1.868 . . . . 0.0 111.574 -177.429 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo . . . . . 0 CA--C 1.541 0.843 0 N-CA-C 114.682 0.993 . . . . 0.0 114.682 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.0 -175.53 4.72 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.629 1.571 . . . . 0.0 113.193 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 32.6 m -49.52 156.73 0.6 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.639 2.375 . . . . 0.0 116.501 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.84 20.52 9.25 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.998 2.119 . . . . 0.0 111.977 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -131.92 20.81 4.55 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.356 2.262 . . . . 0.0 111.006 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p -131.19 -168.78 2.06 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.098 2.159 . . . . 0.0 111.88 -176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -44.58 -36.22 2.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.725 1.61 . . . . 0.0 114.164 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -59.55 -27.8 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.056 1.342 . . . . 0.0 113.78 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.29 -21.0 24.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.237 1.015 . . . . 0.0 112.189 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 mt -65.84 -33.58 76.19 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.285 -0.885 . . . . 0.0 110.305 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -58.67 -31.43 68.18 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -80.61 -13.77 58.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.686 1.594 . . . . 0.0 113.5 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -100.94 -29.03 12.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.253 1.421 . . . . 0.0 112.188 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 23.8 mt -64.5 163.94 23.15 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 126.113 1.765 . . . . 0.0 112.059 175.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.44 55.16 2.5 Favored 'Trans proline' 0 CA--C 1.549 1.228 0 C-N-CA 124.999 3.8 . . . . 0.0 113.694 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.5 -6.94 0.12 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.955 2.502 . . . . 0.0 115.959 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -105.9 -1.94 23.56 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.845 2.058 . . . . 0.0 112.707 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -102.47 15.07 30.3 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.08 1.752 . . . . 0.0 112.225 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -63.39 -7.98 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 127.917 2.487 . . . . 0.0 115.818 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -8.71 0.25 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.331 2.253 . . . . 0.0 115.971 178.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.5 t -145.0 122.59 6.38 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 126.925 2.09 . . . . 0.0 107.451 174.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.98 -21.31 20.97 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.436 2.758 . . . . 0.0 115.977 -173.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.1 mt -145.88 147.74 33.44 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.643 1.177 . . . . 0.0 112.045 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 -36.53 10.14 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.024 2.483 . . . . 0.0 112.323 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -157.0 168.62 26.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.297 1.839 . . . . 0.0 111.352 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -83.92 5.96 23.49 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.36 -6.55 7.31 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 94.6 mmm -69.74 54.99 0.12 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.934 2.494 . . . . 0.0 113.539 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -136.99 -39.95 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.004 2.121 . . . . 0.0 112.252 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -99.35 3.08 45.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.602 1.161 . . . . 0.0 112.31 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.44 130.21 21.6 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.202 2.201 . . . . 0.0 109.774 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.53 143.06 21.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.624 1.57 . . . . 0.0 110.14 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.64 154.28 21.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.635 1.174 . . . . 0.0 113.802 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -115.02 165.23 14.53 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 127.33 2.252 . . . . 0.0 111.775 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -58.75 -25.47 76.03 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.201 1.934 . . . . 0.0 113.453 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.33 -30.35 66.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 0.0 112.384 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.59 -28.03 56.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.609 1.564 . . . . 0.0 112.079 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 19.3 mt -79.87 -42.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 110.367 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.3 -1.3 14.84 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.254 -0.904 . . . . 0.0 113.316 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.17 -57.4 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 113.268 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -18.41 59.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -13.25 45.81 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t -60.35 -21.32 61.95 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -174.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.58 -18.52 65.38 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.25 121.62 81.02 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 119.835 1.198 . . . . 0.0 111.666 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.95 -6.72 18.45 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.92 3.08 . . . . 0.0 115.442 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.13 71.18 0.11 Allowed Glycine 0 CA--C 1.54 1.603 0 CA-C-O 118.376 -1.236 . . . . 0.0 114.153 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.13 -38.36 70.79 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 124.186 3.257 . . . . 0.0 115.629 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.273 1.029 . . . . 0.0 112.448 -179.742 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 CA--C 1.536 0.609 0 N-CA-C 115.025 1.125 . . . . 0.0 115.025 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 45.7 t30 -70.54 -15.97 62.83 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -130.11 -7.37 4.36 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 91.7 p -79.89 -6.59 57.72 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.44 151.33 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 128.473 2.709 . . . . 0.0 109.091 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 73.0 m -143.96 148.24 41.32 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 123.901 0.88 . . . . 0.0 112.212 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.84 -24.31 54.14 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.173 2.582 . . . . 0.0 113.115 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 22.2 p -60.58 -35.17 75.44 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.64 1.576 . . . . 0.0 113.169 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.673 0.789 . . . . 0.0 111.935 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.28 -31.27 65.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.524 0.73 . . . . 0.0 111.6 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.01 -40.37 65.24 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.397 -0.815 . . . . 0.0 110.207 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -66.29 -36.06 82.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 111.433 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.61 -50.26 73.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.104 0.962 . . . . 0.0 109.231 173.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.0 -46.4 89.39 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -61.84 -39.85 93.26 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.47 1.032 . . . . 0.0 111.434 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 54.0 m -67.19 -44.48 79.55 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 110.926 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.16 -40.69 90.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.584 1.154 . . . . 0.0 112.176 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -65.75 -31.48 72.49 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 60.4 m -64.26 158.45 64.75 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.297 1.039 . . . . 0.0 112.173 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -62.69 145.18 95.0 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.544 2.163 . . . . 0.0 111.997 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.7 t -65.92 134.52 53.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.393 1.077 . . . . 0.0 113.86 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.1 p -164.9 159.44 14.91 Favored Pre-proline 0 C--O 1.239 0.551 0 C-N-CA 126.781 2.033 . . . . 0.0 109.855 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -53.86 -35.59 80.16 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.465 2.11 . . . . 0.0 111.754 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -66.45 -40.62 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.057 1.343 . . . . 0.0 111.66 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -47.12 83.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.421 0.689 . . . . 0.0 110.963 176.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.61 -47.06 87.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.567 0.747 . . . . 0.0 110.367 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -57.66 -38.9 75.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.869 0.867 . . . . 0.0 112.293 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -62.54 -40.72 97.69 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.745 1.157 . . . . 0.0 112.374 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 47.4 t -65.61 -40.19 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.84 1.2 . . . . 0.0 110.164 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.95 -42.46 94.09 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.781 0.719 . . . . 0.0 110.645 174.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -61.44 -49.74 75.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.927 0.891 . . . . 0.0 110.867 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.25 -47.5 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.371 1.468 . . . . 0.0 111.047 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.2 -46.66 69.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.889 0.876 . . . . 0.0 112.823 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -64.24 -22.6 67.01 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 119.417 1.008 . . . . 0.0 113.05 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 15.5 t -79.29 -13.76 59.45 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 112.415 174.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -132.53 61.64 58.19 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 127.037 2.135 . . . . 0.0 109.343 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.59 -27.26 61.37 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.18 2.586 . . . . 0.0 116.093 -171.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -52.3 -49.78 63.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.106 . . . . 0.0 113.241 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.63 -32.49 31.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 19.3 tmm? -72.44 -46.63 54.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.02 0.827 . . . . 0.0 112.2 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.3 82.68 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.72 95.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.093 0.557 . . . . 0.0 111.395 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.06 -52.84 30.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.631 1.172 . . . . 0.0 112.806 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -41.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.92 -19.33 51.13 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -98.94 -49.51 4.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.584 1.154 . . . . 0.0 110.007 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.4 -35.49 67.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.585 1.154 . . . . 0.0 113.496 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.3 t -52.22 -31.82 33.82 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.186 1.394 . . . . 0.0 113.431 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.33 52.42 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.905 1.282 . . . . 0.0 114.19 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 42.9 tptt -142.62 6.43 1.64 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.282 1.833 . . . . 0.0 113.941 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 14.4 t80 -78.66 115.14 18.16 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 123.305 1.526 . . . . 0.0 113.605 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 4.8 p -153.61 127.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 129.158 2.983 . . . . 0.0 108.362 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -73.39 156.51 38.25 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.532 0.733 . . . . 0.0 112.96 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -143.45 175.72 9.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.53 1.532 . . . . 0.0 112.632 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -78.36 142.37 62.76 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 125.251 1.42 . . . . 0.0 109.67 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.05 149.03 28.4 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.171 3.247 . . . . 0.0 114.043 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 177.78 52.45 0.07 OUTLIER Glycine 0 CA--C 1.532 1.142 0 N-CA-C 114.749 0.66 . . . . 0.0 114.749 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 97.3 mtp -59.42 105.57 0.36 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.445 1.098 . . . . 0.0 111.412 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 126.577 1.951 . . . . 0.0 110.132 -178.536 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 CA--C 1.539 0.752 0 N-CA-C 113.97 0.719 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.01 8.93 0.66 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t 70.12 -179.41 0.23 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.168 2.187 . . . . 0.0 114.09 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -56.82 -0.84 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 128.195 2.598 . . . . 0.0 116.427 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -73.6 -17.91 61.12 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.545 1.138 . . . . 0.0 113.521 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p 0.4 -88.19 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 131.124 3.77 . . . . 0.0 117.434 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.76 -40.84 73.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.287 2.635 . . . . 0.0 114.111 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -66.47 -30.75 71.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.245 1.018 . . . . 0.0 110.837 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.96 -21.62 54.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.277 1.031 . . . . 0.0 112.942 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.9 mt -68.21 -32.27 72.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.538 1.063 . . . . 0.0 111.678 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -61.14 -36.16 79.02 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.97 0.805 . . . . 0.0 111.61 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -70.47 -25.16 63.04 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.1 -34.91 64.11 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -45.6 -58.52 5.89 Favored Pre-proline 0 N--CA 1.475 0.797 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -68.48 -1.52 7.56 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 124.436 3.424 . . . . 0.0 115.578 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -126.25 -6.86 6.49 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.35 2.29 5.12 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.443 1.097 . . . . 0.0 113.183 177.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.16 160.19 43.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.959 1.304 . . . . 0.0 111.722 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 t -147.83 109.59 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 105.707 -1.961 . . . . 0.0 105.707 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.12 170.68 12.41 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 112.7 -2.045 . . . . 0.0 113.51 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 80.4 p -63.01 151.76 85.3 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 123.597 0.759 . . . . 0.0 111.58 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.86 -9.38 25.94 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.113 2.542 . . . . 0.0 114.896 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.15 114.01 12.35 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.399 1.48 . . . . 0.0 109.995 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.66 -33.06 93.8 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.564 2.843 . . . . 0.0 116.548 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t -72.81 170.09 15.38 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -154.79 138.07 15.75 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.273 2.229 . . . . 0.0 109.709 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.76 -179.05 6.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.138 0.975 . . . . 0.0 112.838 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 37.5 mtp -141.29 39.12 1.74 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.234 1.814 . . . . 0.0 111.112 -174.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -52.72 -25.68 11.82 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -138.75 22.14 2.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.601 1.16 . . . . 0.0 112.956 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -155.42 160.48 40.68 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.612 1.165 . . . . 0.0 113.571 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.93 134.9 9.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.25 1.42 . . . . 0.0 108.951 175.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.58 133.41 52.25 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -101.99 163.92 16.82 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 126.968 2.107 . . . . 0.0 111.582 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -61.82 -27.36 80.37 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.799 1.666 . . . . 0.0 112.197 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.32 -38.32 88.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 112.435 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.85 -31.73 61.72 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.451 -0.78 . . . . 0.0 112.112 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 28.8 mt -74.94 -37.52 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 123.899 0.88 . . . . 0.0 110.536 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.05 -4.42 41.23 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.036 -1.665 . . . . 0.0 112.853 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -50.53 9.59 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.99 -1.069 . . . . 0.0 113.448 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -25.84 67.71 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -173.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -10.29 44.26 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -11.2 59.87 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -174.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.94 -16.23 28.21 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 117.338 2.348 . . . . 0.0 117.338 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.72 125.07 7.39 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 119.707 1.14 . . . . 0.0 110.985 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.31 -6.96 19.75 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 123.407 2.738 . . . . 0.0 115.794 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.08 56.03 16.21 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 125.166 1.365 . . . . 0.0 114.924 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -78.04 -10.8 16.56 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.024 3.149 . . . . 0.0 115.458 -175.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 N--CA 1.474 0.769 0 C-N-CA 124.644 1.177 . . . . 0.0 113.558 -178.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo . . . . . 0 CA--C 1.539 0.749 0 N-CA-C 114.817 1.045 . . . . 0.0 114.817 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 50.1 p-10 -119.58 6.17 11.05 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.091 1.756 . . . . 0.0 114.002 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -134.56 -14.63 2.19 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.638 1.975 . . . . 0.0 113.236 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 12.4 m -57.97 138.06 56.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.44 1.896 . . . . 0.0 114.08 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 33.8 pt -150.41 169.44 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 128.091 2.557 . . . . 0.0 109.385 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -130.35 132.42 24.02 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.061 0.944 . . . . 0.0 111.551 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.27 -21.15 42.03 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.061 2.507 . . . . 0.0 113.505 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 25.0 p -63.2 -31.97 73.25 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.676 1.19 . . . . 0.0 112.41 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.21 76.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.95 0.9 . . . . 0.0 111.869 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.29 -36.99 80.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.471 0.708 . . . . 0.0 111.217 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -66.58 -40.14 88.8 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.725 -0.61 . . . . 0.0 110.509 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -38.62 91.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.501 0.721 . . . . 0.0 111.169 174.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.65 -44.36 96.47 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.404 -0.81 . . . . 0.0 109.903 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.52 -43.91 97.65 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.233 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -65.21 -33.4 75.9 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.331 1.423 . . . . 0.0 111.735 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 90.6 m -65.14 -44.33 88.99 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 110.436 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.13 -44.18 92.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.302 1.441 . . . . 0.0 112.143 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.34 -26.58 65.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.455 1.102 . . . . 0.0 113.784 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.0 m -75.37 158.08 84.01 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.986 1.315 . . . . 0.0 111.667 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.13 147.94 84.61 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.919 2.413 . . . . 0.0 113.038 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 13.2 t -70.43 142.72 51.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.662 1.185 . . . . 0.0 113.919 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -170.96 163.32 5.38 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 127.605 2.362 . . . . 0.0 109.769 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -53.63 -35.32 77.13 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.347 2.031 . . . . 0.0 111.643 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.73 -43.06 85.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.125 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -63.94 -42.61 97.27 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -62.74 -43.56 98.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.827 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.52 -38.47 84.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.731 0.813 . . . . 0.0 111.752 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.51 -39.39 83.67 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.274 0.943 . . . . 0.0 113.007 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.15 -49.82 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 118.869 0.758 . . . . 0.0 110.054 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.51 -40.23 96.52 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.309 1.043 . . . . 0.0 110.963 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.55 -49.79 76.41 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.802 1.183 . . . . 0.0 111.264 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.04 -47.95 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.981 1.312 . . . . 0.0 110.856 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.0 -41.3 82.46 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.673 0.789 . . . . 0.0 112.972 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -64.93 -20.64 66.56 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.698 1.135 . . . . 0.0 112.734 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 7.7 t -85.01 -12.0 54.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.027 1.331 . . . . 0.0 111.875 174.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -134.97 57.96 24.72 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 127.352 2.261 . . . . 0.0 109.707 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.25 -22.88 74.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.926 2.417 . . . . 0.0 114.819 -173.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.22 -51.49 67.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.021 0.928 . . . . 0.0 111.462 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.91 -35.09 62.24 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 36.2 ttp -68.47 -46.88 68.56 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.856 0.753 . . . . 0.0 111.921 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.84 95.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.516 0.726 . . . . 0.0 111.535 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.91 93.17 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.894 -0.504 . . . . 0.0 111.268 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 7.6 t80 -65.78 -53.29 42.38 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.598 0.759 . . . . 0.0 112.025 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -42.29 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.705 1.138 . . . . 0.0 112.931 -176.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -62.19 -17.68 58.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -98.6 -45.99 5.88 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.287 1.435 . . . . 0.0 109.686 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -57.41 -45.6 84.4 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.036 1.735 . . . . 0.0 112.661 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 4.9 t -54.08 -25.43 21.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.345 1.458 . . . . 0.0 114.502 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.85 60.85 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.244 1.018 . . . . 0.0 113.707 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 56.5 tptt -135.36 -25.13 1.35 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.842 2.057 . . . . 0.0 113.862 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 2.2 t80 -40.01 113.76 0.38 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 128.242 2.617 . . . . 0.0 114.985 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 29.3 m -73.98 29.04 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 131.227 3.811 . . . . 0.0 114.2 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -66.05 -16.55 64.02 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 10.2 p30 -73.83 160.63 31.18 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.417 1.087 . . . . 0.0 112.704 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -153.68 157.53 32.65 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.244 1.418 . . . . 0.0 111.905 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.83 163.73 36.2 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.479 2.119 . . . . 0.0 111.312 175.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -161.73 39.17 0.39 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.357 0.98 . . . . 0.0 113.834 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 39.2 tpp -139.56 68.82 1.36 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.429 1.492 . . . . 0.0 110.454 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 125.737 1.615 . . . . 0.0 111.421 -177.567 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 CA--C 1.539 0.731 0 N-CA-C 114.043 0.747 . . . . 0.0 114.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -147.33 179.77 7.41 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.696 1.598 . . . . 0.0 112.332 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 8.1 t -136.18 -170.83 2.74 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.526 1.53 . . . . 0.0 111.399 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -109.53 16.69 22.06 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.619 1.968 . . . . 0.0 110.84 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -128.94 17.72 6.17 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 128.624 2.769 . . . . 0.0 110.546 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.7 p -133.08 151.41 52.02 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.589 1.555 . . . . 0.0 115.144 -175.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -25.04 61.22 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.0 t -54.63 -36.54 64.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.266 1.026 . . . . 0.0 112.662 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.16 -21.31 62.19 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.149 0.98 . . . . 0.0 113.38 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.97 -34.17 71.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.908 -1.12 . . . . 0.0 110.082 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -67.3 -44.25 79.68 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.265 0.626 . . . . 0.0 112.242 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -63.87 -18.31 64.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -98.22 -7.53 29.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.289 1.436 . . . . 0.0 113.693 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -42.99 -50.59 13.6 Favored Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.09 7.91 1.24 Allowed 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.641 2.894 . . . . 0.0 114.207 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.33 -32.93 67.21 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 120.207 1.367 . . . . 0.0 114.348 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -74.06 -16.27 61.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.836 1.254 . . . . 0.0 113.558 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . 0.277 12.2 p30 43.16 27.84 0.13 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.3 t -147.42 114.3 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 127.14 2.176 . . . . 0.0 108.555 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.0 mt -110.88 168.85 9.17 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 128.333 2.653 . . . . 0.0 111.531 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -60.97 153.83 63.56 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 123.923 0.889 . . . . 0.0 112.925 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.73 -8.69 15.84 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.943 2.428 . . . . 0.0 113.058 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.08 151.91 47.48 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 126.244 1.818 . . . . 0.0 112.703 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -75.84 175.84 10.79 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.918 2.412 . . . . 0.0 112.142 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -55.36 -23.48 24.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.079 1.752 . . . . 0.0 115.02 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -82.78 14.35 3.27 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.805 1.642 . . . . 0.0 115.184 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -7.98 17.99 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 59.3 mmm -73.68 37.03 0.09 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.902 2.481 . . . . 0.0 114.77 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.95 -28.61 69.94 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -142.8 -45.48 0.31 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.776 1.231 . . . . 0.0 112.569 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.26 133.75 52.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.107 0.563 . . . . 0.0 111.025 176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.49 143.86 24.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.651 1.58 . . . . 0.0 109.479 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.79 157.95 6.88 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -134.31 159.48 72.15 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 128.74 2.816 . . . . 0.0 108.984 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -57.5 -26.46 71.79 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.567 2.178 . . . . 0.0 114.067 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.71 -35.08 68.1 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.888 1.275 . . . . 0.0 113.509 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -74.76 -28.46 60.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.257 1.023 . . . . 0.0 112.622 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.6 mt -85.71 -39.13 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 125.296 1.438 . . . . 0.0 111.445 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.0 1.48 7.21 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.103 -0.998 . . . . 0.0 113.111 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -82.79 -60.41 2.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.116 1.366 . . . . 0.0 112.805 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -17.31 64.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -9.7 46.65 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.65 -22.88 64.38 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -11.4 91.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 129.267 3.027 . . . . 0.0 116.954 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -151.77 112.87 2.94 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.133 1.373 . . . . 0.0 110.548 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -57.83 -26.01 71.85 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.526 2.818 . . . . 0.0 113.551 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.05 -171.06 54.13 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.945 1.259 . . . . 0.0 115.069 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.26 -7.76 20.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 124.249 3.3 . . . . 0.0 114.729 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 N--CA 1.473 0.678 0 C-N-CA 125.036 1.334 . . . . 0.0 111.788 -179.526 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo . . . . . 0 CA--C 1.538 0.706 0 N-CA-C 114.541 0.939 . . . . 0.0 114.541 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -60.8 134.62 57.27 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.716 1.206 . . . . 0.0 111.747 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -99.72 5.92 45.62 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.225 1.41 . . . . 0.0 113.691 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 7.0 t -134.91 -163.38 1.37 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.752 2.021 . . . . 0.0 110.96 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.0 pt -138.65 160.03 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.495 1.518 . . . . 0.0 111.319 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 71.2 m -138.12 137.98 22.18 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 124.299 1.04 . . . . 0.0 111.547 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.11 -22.61 40.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.11 2.54 . . . . 0.0 113.033 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.9 p -56.11 -32.46 64.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.301 1.04 . . . . 0.0 112.896 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.34 -33.36 72.29 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.839 1.256 . . . . 0.0 112.915 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.38 -45.17 80.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.364 1.066 . . . . 0.0 110.033 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -66.63 -41.49 88.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.102 0.561 . . . . 0.0 111.443 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.1 t0 -66.08 -38.36 88.08 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.629 -0.669 . . . . 0.0 111.885 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.57 -36.78 73.81 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.65 -1.281 . . . . 0.0 110.775 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.66 -48.78 79.27 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.07 0.85 . . . . 0.0 110.723 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -63.49 -33.65 76.05 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.185 0.902 . . . . 0.0 112.337 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 87.1 m -66.67 -46.93 74.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.303 1.041 . . . . 0.0 110.647 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.66 -39.86 89.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.501 1.12 . . . . 0.0 111.552 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -73.66 12.7 0.59 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.845 1.658 . . . . 0.0 115.456 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 33.3 m -123.9 157.64 62.64 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 125.972 1.709 . . . . 0.0 110.862 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -63.12 150.86 87.43 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.999 2.466 . . . . 0.0 113.677 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 17.7 t -64.33 129.3 39.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.362 1.065 . . . . 0.0 112.25 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -161.96 160.94 21.99 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.923 1.689 . . . . 0.0 110.573 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.54 -35.33 76.27 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.626 2.217 . . . . 0.0 111.727 173.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.4 -43.29 86.22 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 111.182 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.14 -48.98 77.71 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.543 0.737 . . . . 0.0 110.643 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.29 -45.29 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 111.204 176.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -62.44 -40.29 96.1 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 0.0 111.641 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -58.49 -45.43 88.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.955 0.798 . . . . 0.0 111.689 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 86.3 t -55.81 -51.92 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.49 -42.61 99.62 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.431 0.693 . . . . 0.0 111.363 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -58.35 -48.13 81.55 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 111.636 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.1 mt -63.71 -48.66 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.133 0.973 . . . . 0.0 111.422 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.98 -43.29 93.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.263 0.625 . . . . 0.0 111.896 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -67.77 -18.47 64.88 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.296 1.039 . . . . 0.0 112.877 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.0 m -82.88 -4.47 58.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.331 1.052 . . . . 0.0 112.003 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -139.3 56.17 8.36 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 126.571 1.948 . . . . 0.0 110.933 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.22 -37.33 39.26 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.936 3.091 . . . . 0.0 115.901 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -51.35 -50.41 59.55 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.51 1.524 . . . . 0.0 113.25 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.74 -27.26 29.05 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -47.2 16.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.994 1.318 . . . . 0.0 111.906 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.58 -33.03 74.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.119 0.968 . . . . 0.0 112.426 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.47 83.16 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.128 0.571 . . . . 0.0 111.95 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.59 -53.01 8.63 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 113.322 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -43.01 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.239 0.616 . . . . 0.0 112.546 -175.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -61.4 -15.1 33.4 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -97.78 -44.8 6.58 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.9 0.88 . . . . 0.0 109.763 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -59.55 -34.28 72.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.44 1.096 . . . . 0.0 113.102 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 8.9 t -56.62 -28.34 60.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.142 0.977 . . . . 0.0 113.364 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.77 -17.23 64.0 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.018 -1.051 . . . . 0.0 113.636 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 22.5 tptm -112.84 -34.97 5.61 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.0 2.12 . . . . 0.0 111.971 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 6.8 t80 -80.92 69.24 7.45 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.525 2.33 . . . . 0.0 111.897 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 46.7 t -125.83 126.28 69.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 112.084 -2.326 . . . . 0.0 109.669 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -130.43 163.71 26.35 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.991 1.716 . . . . 0.0 111.786 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -140.44 164.46 30.07 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.937 1.295 . . . . 0.0 112.252 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -109.14 142.5 25.72 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.369 1.867 . . . . 0.0 110.086 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -63.63 148.23 92.4 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.713 2.275 . . . . 0.0 111.549 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -73.42 -15.86 78.97 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 115.954 1.141 . . . . 0.0 115.954 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.67 137.29 56.59 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.564 1.182 . . . . 0.0 112.805 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 126.115 1.766 . . . . 0.0 110.8 178.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 113.98 0.723 . . . . 0.0 113.98 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.79 156.76 41.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.331 1.452 . . . . 0.0 111.695 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 55.9 m -77.4 137.55 38.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.369 0.604 . . . . 0.0 110.54 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -76.95 -3.49 39.1 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -91.37 9.74 30.38 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.362 1.465 . . . . 0.0 112.824 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.5 p -98.96 -169.49 1.78 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.191 1.797 . . . . 0.0 113.557 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -46.75 -27.36 1.17 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.315 1.846 . . . . 0.0 115.656 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -57.73 -32.56 67.55 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.554 0.742 . . . . 0.0 112.615 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -82.68 -24.53 33.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.337 1.055 . . . . 0.0 113.246 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.2 -36.22 82.91 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.33 -0.856 . . . . 0.0 110.35 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -63.72 -31.91 73.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.826 -0.546 . . . . 0.0 112.222 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.26 -35.66 41.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.351 1.46 . . . . 0.0 112.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.54 -35.45 65.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.881 0.872 . . . . 0.0 112.742 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -45.57 -54.9 13.71 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.13 3.92 1.81 Allowed 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.022 3.148 . . . . 0.0 114.724 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -132.27 -19.91 2.44 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.3 p30 -85.84 -0.78 56.23 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.175 0.99 . . . . 0.0 113.127 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.31 157.33 47.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.42 1.488 . . . . 0.0 111.412 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 m -139.83 -13.12 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.69 161.25 38.56 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.658 1.183 . . . . 0.0 113.681 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -145.96 149.4 38.97 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.709 1.603 . . . . 0.0 110.695 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -81.65 -24.07 4.47 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.695 2.263 . . . . 0.0 115.215 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 97.7 mt -146.53 154.96 49.3 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 124.604 1.162 . . . . 0.0 113.543 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.07 -178.37 4.53 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.7 2.933 . . . . 0.0 110.497 172.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 48.2 m -54.32 -19.9 6.25 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -61.45 -13.2 18.6 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.96 -26.02 68.12 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.748 1.619 . . . . 0.0 113.264 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.6 mtp -79.2 20.17 0.53 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.532 1.533 . . . . 0.0 114.361 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.57 -36.47 71.74 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.503 1.521 . . . . 0.0 114.655 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -142.94 22.61 1.92 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.797 1.239 . . . . 0.0 112.977 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -144.54 147.83 33.69 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.613 1.565 . . . . 0.0 110.889 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.3 tpp -149.49 164.26 35.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.188 1.395 . . . . 0.0 111.268 -177.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.93 144.02 9.29 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.726 1.211 . . . . 0.0 111.874 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.2 p -118.63 159.37 44.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 112.973 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.24 -24.9 76.43 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.417 2.078 . . . . 0.0 113.101 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.52 -32.0 73.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.526 1.13 . . . . 0.0 111.919 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.18 -28.49 63.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.436 1.095 . . . . 0.0 111.684 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -77.96 -46.37 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.271 1.028 . . . . 0.0 111.316 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.67 -3.63 12.72 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.75 -59.85 2.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.711 1.604 . . . . 0.0 112.827 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -26.7 65.32 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -172.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.84 -10.07 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t -57.63 -17.32 13.93 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -66.95 -0.39 3.09 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.103 1.761 . . . . 0.0 114.948 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -49.8 125.08 16.93 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 125.536 1.534 . . . . 0.0 112.481 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -51.85 -45.19 39.98 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.281 3.321 . . . . 0.0 116.227 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.03 172.04 17.61 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.084 0.849 . . . . 0.0 114.875 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.52 -39.04 86.78 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.144 3.229 . . . . 0.0 114.6 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 N--CA 1.477 0.913 0 C-N-CA 128.286 2.634 . . . . 0.0 115.273 -179.266 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo . . . . . 0 CA--C 1.54 0.81 0 N-CA-C 114.783 1.032 . . . . 0.0 114.783 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -145.12 137.42 25.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.059 1.744 . . . . 0.0 109.755 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -140.18 159.19 42.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.187 1.395 . . . . 0.0 111.877 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 82.5 p -157.35 -177.17 6.4 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.448 1.499 . . . . 0.0 112.079 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.5 pt -140.0 162.0 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.231 1.812 . . . . 0.0 109.679 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.3 m -128.24 138.46 33.05 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.146 0.978 . . . . 0.0 111.329 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 -24.66 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.139 2.559 . . . . 0.0 113.925 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 26.9 p -63.03 -34.04 76.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.913 1.285 . . . . 0.0 113.426 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.52 80.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.532 0.733 . . . . 0.0 111.537 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.5 -33.18 70.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.737 0.815 . . . . 0.0 111.811 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -69.35 -40.56 77.44 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.394 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.71 -35.42 80.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 111.188 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.29 -50.5 73.4 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.409 1.083 . . . . 0.0 109.532 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -46.86 82.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 113.048 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -66.08 -30.33 70.82 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.385 0.993 . . . . 0.0 112.521 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 58.2 m -70.31 -44.39 68.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.913 0.885 . . . . 0.0 110.376 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.45 -37.47 86.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.395 1.878 . . . . 0.0 113.367 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -62.87 -24.17 67.68 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.6 m -80.44 156.48 73.48 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.3 1.04 . . . . 0.0 111.021 175.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.37 147.44 94.92 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.843 2.362 . . . . 0.0 112.819 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.2 t -72.65 145.33 47.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 93.6 p -170.61 161.15 6.02 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 128.426 2.69 . . . . 0.0 108.888 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.68 -33.53 80.26 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.209 1.94 . . . . 0.0 111.805 174.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.35 -42.52 83.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.856 1.262 . . . . 0.0 111.191 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.63 -43.22 94.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.523 0.729 . . . . 0.0 110.551 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -61.58 -41.64 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.032 0.933 . . . . 0.0 111.43 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -56.0 -37.91 69.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.389 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -64.58 -43.63 93.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.663 1.12 . . . . 0.0 111.659 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 46.2 t -62.39 -43.57 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.234 0.925 . . . . 0.0 110.346 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.52 -41.25 94.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.778 0.831 . . . . 0.0 110.927 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.3 -45.89 89.27 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.155 0.889 . . . . 0.0 111.139 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -45.91 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.1 1.36 . . . . 0.0 110.448 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.62 -43.31 80.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.986 0.914 . . . . 0.0 111.894 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -65.37 -16.79 63.96 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.904 1.229 . . . . 0.0 113.41 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.2 m -87.35 -8.66 56.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.844 1.258 . . . . 0.0 111.987 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.84 54.67 5.79 Favored Pre-proline 0 CA--C 1.558 1.252 0 C-N-CA 128.117 2.567 . . . . 0.0 109.602 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.94 -23.14 71.69 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.213 2.608 . . . . 0.0 115.836 -172.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -48.74 -47.07 41.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.8 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.8 -31.34 25.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 11.1 ptm -78.9 -37.36 40.18 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.617 1.099 . . . . 0.0 112.949 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.25 84.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.823 0.738 . . . . 0.0 112.343 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.0 90.63 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 122.024 -0.423 . . . . 0.0 110.94 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.3 t80 -68.63 -51.47 41.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.876 1.27 . . . . 0.0 113.498 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -37.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-N 119.595 1.089 . . . . 0.0 112.757 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.49 -24.93 34.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.703 1.201 . . . . 0.0 113.218 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -98.9 -46.04 5.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.035 1.334 . . . . 0.0 111.109 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -32.96 64.87 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.674 1.189 . . . . 0.0 112.565 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.4 t -51.98 -29.77 22.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.316 1.046 . . . . 0.0 112.968 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.66 63.9 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.961 1.304 . . . . 0.0 113.862 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -120.49 -10.44 9.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.325 2.25 . . . . 0.0 113.425 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.39 45.82 0.59 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.1 2.16 . . . . 0.0 110.344 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 7.5 p -130.35 26.77 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 128.54 2.736 . . . . 0.0 112.26 -174.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -57.84 -13.9 5.13 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 14.2 m120 -82.07 58.82 4.12 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.353 1.461 . . . . 0.0 113.402 -177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -129.63 132.88 24.49 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.646 1.578 . . . . 0.0 109.9 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.44 -31.83 18.92 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 124.605 3.537 . . . . 0.0 117.549 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -90.53 -9.95 64.12 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.467 0.947 . . . . 0.0 115.467 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 21.7 ttt -88.41 55.62 3.48 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.916 1.358 . . . . 0.0 111.894 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 125.111 1.364 . . . . 0.0 112.806 -179.158 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.54 0.811 0 N-CA-C 114.143 0.786 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -141.09 170.66 15.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.829 1.652 . . . . 0.0 113.781 -178.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.405 ' C ' ' H ' ' B' ' 17' ' ' GLU . 49.8 m -142.29 166.95 23.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.95 1.7 . . . . 0.0 111.219 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -74.51 35.12 0.1 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.507 1.523 . . . . 0.0 113.699 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' B' ' 15' ' ' SER . 37.1 mt-10 -137.78 14.76 2.91 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 128.31 2.644 . . . . 0.0 110.903 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -123.51 -171.54 2.33 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.559 1.944 . . . . 0.0 111.137 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -45.58 -35.67 4.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.271 1.428 . . . . 0.0 114.696 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -62.06 -29.95 70.65 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.304 1.042 . . . . 0.0 113.267 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -83.31 -25.58 31.38 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.977 -1.077 . . . . 0.0 112.222 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.81 -28.38 68.96 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.393 -0.817 . . . . 0.0 111.453 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -67.29 -41.43 85.43 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.621 0.646 . . . . 0.0 110.297 171.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -67.61 -28.61 67.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.169 1.787 . . . . 0.0 113.584 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 mt -60.88 -20.39 61.86 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.834 0.854 . . . . 0.0 112.343 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.0 mt -106.72 85.06 1.68 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.795 2.038 . . . . 0.0 109.166 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -61.49 -16.04 45.07 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 124.27 3.314 . . . . 0.0 115.205 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.04 -20.44 63.96 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 174.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -49.25 -17.14 0.21 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.3 8.34 5.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.205 1.402 . . . . 0.0 114.469 -177.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.66 -9.94 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.007 1.323 . . . . 0.0 113.973 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 pp -60.19 168.17 2.09 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.612 2.365 . . . . 0.0 114.905 177.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -62.48 157.75 54.02 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.617 1.967 . . . . 0.0 114.309 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.83 3.38 2.37 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 124.347 3.365 . . . . 0.0 116.848 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 pp -139.36 154.32 71.71 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 125.131 1.373 . . . . 0.0 112.631 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -69.81 173.32 11.19 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 124.118 3.212 . . . . 0.0 115.346 -176.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 47.3 t -61.75 151.21 34.63 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.939 1.695 . . . . 0.0 113.042 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -99.31 -3.43 34.05 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.1 1.36 . . . . 0.0 113.477 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.33 -17.32 63.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.349 1.46 . . . . 0.0 114.001 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 37.7 mtp -83.81 17.12 2.44 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.597 1.559 . . . . 0.0 113.633 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.9 -30.77 62.11 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.015 1.726 . . . . 0.0 115.369 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -143.04 19.18 1.95 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.47 1.108 . . . . 0.0 113.615 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.04 149.43 30.31 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.436 1.494 . . . . 0.0 111.775 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.0 tpp -151.26 154.41 36.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.832 1.253 . . . . 0.0 112.322 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.84 152.26 7.52 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -128.47 168.9 14.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 127.418 2.287 . . . . 0.0 111.277 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -58.05 -27.73 80.68 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.321 2.014 . . . . 0.0 112.459 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.13 -34.0 69.78 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.734 1.613 . . . . 0.0 112.732 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.15 -38.97 66.04 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.389 1.076 . . . . 0.0 111.367 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.69 -42.74 62.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.727 1.211 . . . . 0.0 111.24 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.51 -7.93 52.51 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.972 -1.08 . . . . 0.0 113.499 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -53.32 5.91 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.612 1.165 . . . . 0.0 113.493 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -22.01 65.61 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.37 48.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t -59.3 -22.89 61.9 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.41 -10.75 60.18 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.29 123.8 67.64 Favored Pre-proline 0 CA--C 1.556 1.173 0 C-N-CA 124.48 1.112 . . . . 0.0 111.22 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.37 -6.15 18.51 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 124.007 3.138 . . . . 0.0 115.416 -177.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.53 59.3 10.37 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.58 1.562 . . . . 0.0 115.322 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.94 174.96 2.67 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.836 3.024 . . . . 0.0 114.223 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.241 0.645 0 C-N-CA 126.635 1.974 . . . . 0.0 112.017 178.519 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo . . . . . 0 CA--C 1.545 1.07 0 N-CA-C 113.297 0.46 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -66.4 -9.99 39.2 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -132.91 155.15 49.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.731 1.612 . . . . 0.0 111.698 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 35.5 m -63.35 158.77 19.61 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.465 1.506 . . . . 0.0 112.535 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 49.2 pt -66.17 162.36 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.743 1.217 . . . . 0.0 111.839 176.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.4 m -127.73 139.52 35.53 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 124.101 0.961 . . . . 0.0 111.773 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.21 -24.33 44.24 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.047 2.498 . . . . 0.0 113.071 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.9 p -55.81 -35.36 66.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 0.0 112.638 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.67 69.09 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.344 1.057 . . . . 0.0 113.055 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.44 -41.64 76.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.819 0.847 . . . . 0.0 110.016 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -68.68 -39.98 80.33 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.854 -0.529 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.563 -0.71 . . . . 0.0 112.173 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.94 -49.33 72.98 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.069 -1.019 . . . . 0.0 109.254 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.98 -45.83 91.43 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -61.97 -29.79 70.49 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.072 0.851 . . . . 0.0 112.021 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 60.3 m -78.65 -42.38 28.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.043 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 37.1 tp -57.68 -35.72 70.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.676 1.19 . . . . 0.0 111.718 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.82 -16.06 56.76 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.4 m -66.56 162.75 47.46 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.656 1.182 . . . . 0.0 111.885 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.31 161.34 43.53 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.296 1.997 . . . . 0.0 111.743 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 47.0 m -59.15 102.75 0.14 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.147 1.379 . . . . 0.0 110.874 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 82.2 p -159.27 156.98 26.92 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -174.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.24 -17.9 55.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.644 2.23 . . . . 0.0 112.489 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -64.5 -49.11 72.65 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.056 -1.027 . . . . 0.0 110.972 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.09 -35.72 80.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.804 0.729 . . . . 0.0 111.906 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -59.27 -50.5 73.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.033 1.333 . . . . 0.0 109.855 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -65.4 -42.67 92.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.599 0.76 . . . . 0.0 111.871 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.28 -42.82 99.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.789 1.177 . . . . 0.0 113.27 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 55.6 t -61.73 -42.07 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.113 1.324 . . . . 0.0 110.022 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.19 -38.99 91.21 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.584 0.629 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.88 -45.9 90.37 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.0 0.818 . . . . 0.0 110.885 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.74 -43.22 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 110.62 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.83 -32.39 70.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.019 0.928 . . . . 0.0 112.794 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -61.92 -24.37 66.93 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.729 1.149 . . . . 0.0 112.542 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 71.2 m -85.79 -3.81 59.0 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.503 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -138.55 54.8 7.27 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.069 2.148 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.46 -32.6 74.09 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.092 2.528 . . . . 0.0 116.315 -175.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -48.98 -49.12 42.17 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.649 1.579 . . . . 0.0 113.629 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.54 -31.21 26.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.85 -46.23 63.05 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.419 0.687 . . . . 0.0 111.678 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.85 98.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.145 0.978 . . . . 0.0 112.934 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.58 91.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.027 0.531 . . . . 0.0 111.441 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.2 t80 -69.64 -52.79 22.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.809 1.244 . . . . 0.0 112.822 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -35.03 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 118.769 0.713 . . . . 0.0 112.255 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.11 -30.33 59.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.06 0.846 . . . . 0.0 112.935 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -87.75 -42.11 12.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.509 0.724 . . . . 0.0 110.859 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -64.33 -33.1 75.06 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.3 t -59.03 -31.68 69.05 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 119.096 0.862 . . . . 0.0 112.668 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.43 -9.91 38.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.378 1.071 . . . . 0.0 113.641 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -118.57 8.05 11.92 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.521 2.328 . . . . 0.0 112.378 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.94 108.45 12.42 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.3 1.84 . . . . 0.0 110.28 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 9.3 p -147.35 124.43 3.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.84 2.056 . . . . 0.0 110.645 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -128.34 12.35 6.49 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.932 1.693 . . . . 0.0 114.393 -176.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 15.9 p30 -129.05 167.46 17.48 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.128 1.771 . . . . 0.0 112.991 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -65.63 134.37 95.37 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.023 1.329 . . . . 0.0 112.585 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -73.33 -23.84 17.24 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.098 2.532 . . . . 0.0 113.627 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -179.43 31.79 0.06 OUTLIER Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.784 1.183 . . . . 0.0 114.301 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 96.7 mmm -130.19 29.19 4.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.016 1.726 . . . . 0.0 112.432 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 125.274 1.43 . . . . 0.0 113.198 -179.327 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.541 0.828 0 N-CA-C 114.073 0.759 . . . . 0.0 114.073 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.59 178.86 6.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.366 1.867 . . . . 0.0 112.323 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 59.5 m -133.38 155.92 48.59 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.809 1.244 . . . . 0.0 112.404 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.78 17.07 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.73 2.412 . . . . 0.0 115.252 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -127.95 -2.19 5.87 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.221 1.809 . . . . 0.0 112.954 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -74.87 172.68 11.8 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.721 1.208 . . . . 0.0 112.369 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -37.25 -44.39 0.58 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.164 2.186 . . . . 0.0 116.061 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t -56.61 -34.7 67.5 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.272 1.029 . . . . 0.0 113.539 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.96 -25.12 18.15 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 112.112 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -35.08 79.09 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.68 0.673 . . . . 0.0 110.499 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -58.08 -29.52 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.214 0.915 . . . . 0.0 112.851 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -81.66 -18.8 43.31 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.37 1.468 . . . . 0.0 114.337 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 mt -82.09 -37.84 25.74 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.28 -43.82 98.6 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -53.39 -14.26 4.37 Favored 'Trans proline' 0 CA--C 1.542 0.893 1 C-N-CA 125.33 4.02 . . . . 0.0 117.523 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -103.01 -0.13 31.29 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.28 1.4 . . . . 0.0 114.207 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.93 26.87 10.18 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.781 1.232 . . . . 0.0 111.022 174.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -146.5 147.64 31.39 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.275 2.63 . . . . 0.0 109.015 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -130.9 -7.41 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 125.271 1.428 . . . . 0.0 113.712 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 33.4 mt -95.28 172.42 8.12 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.606 2.362 . . . . 0.0 111.419 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 73.4 p -63.25 153.92 80.1 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 121.615 -0.678 . . . . 0.0 111.341 175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.07 -29.17 8.4 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.213 1.942 . . . . 0.0 113.66 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 82.7 mt -127.26 58.57 31.35 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.884 1.274 . . . . 0.0 113.997 -174.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.34 -22.95 21.2 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.244 2.629 . . . . 0.0 113.749 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.0 t -150.98 178.42 9.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.136 1.374 . . . . 0.0 111.879 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -75.68 76.43 2.66 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.263 1.825 . . . . 0.0 112.396 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.99 -15.81 2.31 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mmt -123.57 16.7 9.61 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.905 1.282 . . . . 0.0 113.095 -176.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.32 -49.3 77.55 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -175.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.63 14.81 4.92 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.524 1.53 . . . . 0.0 114.873 -174.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 pp -139.13 152.85 47.8 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.988 1.715 . . . . 0.0 110.197 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -150.12 142.01 23.82 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.816 0.846 . . . . 0.0 112.449 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.04 159.37 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.521 0.728 . . . . 0.0 111.919 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -119.37 151.84 51.85 Favored Pre-proline 0 N--CA 1.47 0.555 0 C-N-CA 126.228 1.811 . . . . 0.0 110.565 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -54.05 -24.91 34.5 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.023 2.482 . . . . 0.0 113.547 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.56 -35.19 71.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 112.809 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -73.77 -33.6 64.33 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.119 0.968 . . . . 0.0 111.486 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.53 -40.67 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.957 1.303 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.13 -4.77 51.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.873 -1.142 . . . . 0.0 113.242 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -54.54 5.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.588 1.155 . . . . 0.0 112.236 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -19.68 66.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -9.66 47.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.87 -17.36 50.92 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -176.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.08 128.8 38.8 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -152.33 137.45 10.97 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 126.107 1.763 . . . . 0.0 110.163 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -73.1 -12.35 25.7 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.65 2.9 . . . . 0.0 116.188 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.64 -177.53 43.65 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-N 119.807 1.185 . . . . 0.0 114.552 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.88 -11.38 21.7 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.39 3.394 . . . . 0.0 115.268 -177.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.034 1.334 . . . . 0.0 112.223 -179.137 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo . . . . . 0 CA--C 1.54 0.79 0 N-CA-C 114.927 1.087 . . . . 0.0 114.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -119.82 153.07 36.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.744 1.617 . . . . 0.0 111.142 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -152.49 153.31 33.23 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.636 1.574 . . . . 0.0 110.864 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 43.5 m -121.16 15.92 11.51 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.44 160.75 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 127.311 2.244 . . . . 0.0 108.342 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 4.6 m -155.2 148.76 18.64 Favored Pre-proline 0 N--CA 1.482 1.158 0 CA-C-N 119.726 1.148 . . . . 0.0 112.555 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.84 -21.34 33.28 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.518 2.812 . . . . 0.0 113.947 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 24.1 p -62.98 -34.48 77.62 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.124 -0.985 . . . . 0.0 112.481 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.17 72.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.07 0.948 . . . . 0.0 112.583 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.9 -41.51 87.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.287 1.035 . . . . 0.0 110.301 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.63 85.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.277 0.631 . . . . 0.0 111.08 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.3 t0 -66.82 -36.59 82.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.01 0.924 . . . . 0.0 110.835 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.29 -48.87 76.28 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.137 -0.977 . . . . 0.0 109.355 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.82 -44.63 82.23 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.644 -0.694 . . . . 0.0 112.253 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -63.87 -36.12 82.89 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.855 1.207 . . . . 0.0 111.94 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 56.7 m -70.4 -33.43 71.36 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.664 1.186 . . . . 0.0 111.707 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.19 -44.48 95.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 110.796 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.23 -24.76 67.78 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 152.11 67.21 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.28 153.31 66.62 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.799 2.333 . . . . 0.0 111.222 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 20.1 m -55.6 113.89 1.64 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.271 1.428 . . . . 0.0 112.726 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 97.6 p -160.84 158.33 24.31 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 124.758 1.223 . . . . 0.0 112.444 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.16 -24.42 65.97 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.051 1.834 . . . . 0.0 111.914 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.37 -39.22 92.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.794 0.837 . . . . 0.0 110.54 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.84 -46.59 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.797 -0.565 . . . . 0.0 109.894 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.65 -44.21 90.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.244 0.618 . . . . 0.0 111.101 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -63.34 -40.55 97.6 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.39 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -66.12 -39.9 90.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.95 1.25 . . . . 0.0 112.045 176.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 66.6 t -59.3 -47.12 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.111 0.868 . . . . 0.0 109.303 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.8 -48.38 81.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.319 0.648 . . . . 0.0 111.19 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.2 -48.27 79.21 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.551 1.069 . . . . 0.0 112.053 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.7 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.968 1.307 . . . . 0.0 110.875 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.86 -43.68 71.38 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -67.43 -17.05 64.56 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.78 1.232 . . . . 0.0 114.211 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 12.2 t -72.09 -26.27 62.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 111.631 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.75 68.65 8.35 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 127.623 2.369 . . . . 0.0 109.173 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.07 -8.02 21.52 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.489 2.792 . . . . 0.0 115.887 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.94 -58.64 4.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.129 1.771 . . . . 0.0 111.367 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.77 -29.65 70.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.77 1.628 . . . . 0.0 113.94 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 46.7 ttp -76.52 -46.17 27.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.553 -0.717 . . . . 0.0 111.202 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.9 78.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.445 1.098 . . . . 0.0 111.565 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.25 96.82 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.624 0.77 . . . . 0.0 111.554 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 33.5 t80 -70.84 -50.77 31.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 113.304 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -33.63 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.926 -1.109 . . . . 0.0 113.594 -176.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.54 -29.8 62.34 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -94.65 -31.59 13.77 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.632 0.651 . . . . 0.0 112.136 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -67.34 -37.55 83.43 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.131 0.972 . . . . 0.0 113.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.7 t -56.3 -34.86 66.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.38 1.072 . . . . 0.0 112.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.78 -16.95 62.51 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 113.674 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -108.39 -10.26 15.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.441 1.896 . . . . 0.0 112.414 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.75 32.19 0.42 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.601 1.96 . . . . 0.0 111.895 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 8.7 p -122.1 18.53 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 128.358 2.663 . . . . 0.0 111.604 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -54.44 141.76 29.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.338 1.455 . . . . 0.0 113.235 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 6.9 p30 -145.66 174.09 11.49 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.435 1.894 . . . . 0.0 112.236 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -59.16 155.2 35.99 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.328 1.451 . . . . 0.0 114.136 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -51.12 152.74 10.29 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 124.395 3.397 . . . . 0.0 114.457 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -121.3 26.26 6.74 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.021 1.296 . . . . 0.0 115.649 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 6.0 tpt -145.96 141.45 27.74 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.475 1.11 . . . . 0.0 111.536 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 N--CA 1.473 0.715 0 C-N-CA 126.219 1.808 . . . . 0.0 111.248 -179.868 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 CA--C 1.54 0.783 0 N-CA-C 114.59 0.958 . . . . 0.0 114.59 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.04 163.42 18.35 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.556 1.942 . . . . 0.0 112.62 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.4 ' C ' ' H ' ' B' ' 17' ' ' GLU . 15.7 m -110.36 174.78 5.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.549 1.54 . . . . 0.0 114.531 -173.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.82 32.23 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.337 2.255 . . . . 0.0 114.173 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.4 ' H ' ' C ' ' B' ' 15' ' ' SER . 25.9 mt-10 -130.69 10.34 5.12 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.41 2.284 . . . . 0.0 110.8 177.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.3 p -112.63 -174.92 2.56 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.268 2.227 . . . . 0.0 110.718 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -30.87 -46.08 0.08 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.768 2.427 . . . . 0.0 116.944 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.4 p -59.4 -34.5 72.52 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.73 -22.38 24.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.887 0.875 . . . . 0.0 111.844 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 mt -61.81 -36.9 82.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.395 -0.815 . . . . 0.0 110.224 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -62.01 -27.06 68.6 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.82 -30.96 15.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.127 1.771 . . . . 0.0 112.749 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.12 -37.21 69.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.044 1.338 . . . . 0.0 114.302 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -72.23 113.13 17.92 Favored Pre-proline 0 CA--C 1.55 0.942 0 C-N-CA 123.803 0.841 . . . . 0.0 110.983 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -74.05 -35.64 4.02 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.585 2.19 . . . . 0.0 114.074 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -79.85 94.82 5.89 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.01 -1.057 . . . . 0.0 112.817 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 100.82 24.82 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.878 1 C-N-CA 131.752 4.021 . . . . 0.0 110.588 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -45.28 -44.03 11.06 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 -175.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 m -141.84 -3.95 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 126.334 1.854 . . . . 0.0 114.367 -178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 166.23 23.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.904 2.481 . . . . 0.0 111.759 -177.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -154.31 110.8 2.43 Favored Pre-proline 0 N--CA 1.471 0.611 0 C-N-CA 123.507 0.723 . . . . 0.0 111.194 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -85.19 0.56 8.75 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 123.804 3.003 . . . . 0.0 113.859 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 pp -141.45 138.44 17.52 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.85 -177.66 3.89 Favored 'Trans proline' 0 CA--C 1.547 1.149 0 C-N-CA 123.573 2.848 . . . . 0.0 111.452 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.2 m -59.61 27.15 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 129.307 3.043 . . . . 0.0 118.11 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.38 -18.92 31.49 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.63 -6.75 58.78 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.564 1.946 . . . . 0.0 113.711 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 mtt -112.2 24.46 12.56 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.424 1.489 . . . . 0.0 113.88 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.37 -28.0 69.47 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -140.91 17.48 2.3 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.155 1.382 . . . . 0.0 113.364 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -151.97 150.43 30.01 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.09 1.356 . . . . 0.0 113.038 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.7 tpp -151.4 159.76 44.08 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.65 1.58 . . . . 0.0 111.046 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 40.7 mt -72.03 162.02 30.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.246 1.018 . . . . 0.0 112.694 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -131.13 164.69 40.52 Favored Pre-proline 0 N--CA 1.472 0.65 0 C-N-CA 127.302 2.241 . . . . 0.0 110.298 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.94 -25.99 46.8 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.737 2.291 . . . . 0.0 113.966 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.27 -35.6 72.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.07 1.348 . . . . 0.0 112.549 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -73.52 -28.86 62.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.663 1.185 . . . . 0.0 111.775 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 7.5 mt -83.17 -41.43 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.666 1.187 . . . . 0.0 111.364 -178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.34 -3.0 34.46 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.071 -1.018 . . . . 0.0 112.893 177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.48 -59.35 2.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.759 1.624 . . . . 0.0 111.896 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -20.09 65.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -9.7 47.71 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.119 -0.988 . . . . 0.0 113.562 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -13.39 60.68 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.93 4.01 1.73 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.203 1.801 . . . . 0.0 115.189 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -45.14 116.0 2.76 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 126.647 1.979 . . . . 0.0 113.516 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.91 -16.45 32.72 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.3 2.667 . . . . 0.0 115.032 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 40.11 57.37 2.56 Favored Glycine 0 CA--C 1.545 1.96 0 C-N-CA 125.824 1.678 . . . . 0.0 116.492 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.1 -4.2 14.99 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.141 3.227 . . . . 0.0 115.461 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 125.442 1.497 . . . . 0.0 112.226 -179.702 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.1 pt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.8 m -133.99 142.34 43.02 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 124.252 1.021 . . . . 0.0 112.093 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.6 -15.22 37.57 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.602 2.868 . . . . 0.0 113.63 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 23.4 p -61.25 -35.65 77.84 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.112 -0.992 . . . . 0.0 112.681 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.85 75.21 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.961 0.904 . . . . 0.0 112.4 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.62 -40.47 88.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 0.0 110.222 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -70.04 -37.54 75.6 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.815 -0.553 . . . . 0.0 110.954 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.02 -37.77 88.72 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.485 0.66 . . . . 0.0 110.814 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.99 -46.32 91.24 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.932 -1.105 . . . . 0.0 109.829 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.57 -44.79 96.38 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.88 0.764 . . . . 0.0 112.583 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -65.01 -33.82 76.97 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.466 1.03 . . . . 0.0 111.801 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 81.4 m -70.92 -43.01 69.15 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.732 1.213 . . . . 0.0 111.421 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.68 -41.64 81.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.307 1.443 . . . . 0.0 112.421 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -68.8 -13.5 62.44 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -67.4 156.34 88.72 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 119.361 0.982 . . . . 0.0 112.349 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.6 158.59 57.11 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.714 2.276 . . . . 0.0 111.826 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.8 m -55.87 117.79 4.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.409 1.484 . . . . 0.0 113.435 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.7 p -161.26 156.39 20.54 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 124.716 1.206 . . . . 0.0 112.319 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.49 -23.98 57.08 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.108 1.872 . . . . 0.0 112.094 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -65.05 -35.8 82.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.144 0.978 . . . . 0.0 111.145 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.6 -44.93 96.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.576 0.75 . . . . 0.0 110.837 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.51 -46.52 88.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.618 0.767 . . . . 0.0 110.679 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -60.13 -44.32 95.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.776 0.431 . . . . 0.0 111.589 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.65 -41.49 99.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.073 0.852 . . . . 0.0 112.813 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.9 t -60.25 -45.93 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.475 1.034 . . . . 0.0 110.02 175.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.61 -44.51 96.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.213 0.605 . . . . 0.0 111.465 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.03 -47.79 82.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.897 0.879 . . . . 0.0 111.378 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -47.47 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.828 1.251 . . . . 0.0 111.051 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.43 -43.2 91.2 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -58.55 -23.83 59.33 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 20.6 t -72.08 -20.96 61.57 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.99 . . . . 0.0 112.923 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.12 67.21 77.02 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 126.541 1.936 . . . . 0.0 112.591 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.42 -37.2 19.13 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 124.749 3.633 . . . . 0.0 116.036 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -44.26 -55.67 4.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.915 1.686 . . . . 0.0 113.929 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' 2098 ' ' MET . 3.2 pp -83.78 -34.19 24.83 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2098 ' ' MET . . . . . 0.404 ' N ' HD12 ' A' 2097 ' ' LEU . 5.5 ptm -71.94 -34.45 69.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.313 0.961 . . . . 0.0 113.239 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.64 79.04 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.449 0.7 . . . . 0.0 111.005 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.39 92.12 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.713 -0.617 . . . . 0.0 110.674 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.51 -53.05 58.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.522 1.129 . . . . 0.0 112.347 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2102 ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -60.93 -44.26 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.452 1.024 . . . . 0.0 110.748 178.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.52 -39.36 79.91 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.286 -0.884 . . . . 0.0 112.012 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -70.97 -40.35 71.98 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.41 -0.806 . . . . 0.0 111.704 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -69.8 -42.36 73.84 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.869 1.268 . . . . 0.0 114.304 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.8 t -57.98 -33.78 69.26 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.879 1.218 . . . . 0.0 112.852 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.75 -11.28 60.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.966 1.306 . . . . 0.0 114.342 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 N--CA 1.482 1.129 0 C-N-CA 127.17 2.188 . . . . 0.0 113.47 -176.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.2 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -44.26 -37.87 3.49 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.942 1.697 . . . . 0.0 115.315 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -58.59 -26.96 64.19 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.17 -26.44 14.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.055 0.942 . . . . 0.0 111.244 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.81 -30.88 71.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.941 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -57.35 -38.99 75.02 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.858 1.208 . . . . 0.0 111.954 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.73 -30.49 71.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.08 1.352 . . . . 0.0 113.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 124.529 1.132 . . . . 0.0 113.886 -179.815 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 120.849 0.356 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 133.22 19.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.6 1.56 . . . . 0.0 110.207 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 164.55 3.62 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 69.0 m -125.85 151.83 71.73 Favored Pre-proline 0 N--CA 1.473 0.68 0 C-N-CA 126.845 2.058 . . . . 0.0 110.792 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -61.98 -22.28 73.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.326 2.684 . . . . 0.0 115.019 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.55 -31.49 68.02 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.07 0.948 . . . . 0.0 112.924 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.26 -28.39 27.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 111.988 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.4 mt -73.21 -35.21 46.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 109.884 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.47 -1.31 26.57 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.25 -1.531 . . . . 0.0 113.431 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -46.52 13.05 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.883 -1.135 . . . . 0.0 113.527 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -22.71 61.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -16.81 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.583 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 31.5 pt . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.76 0.314 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.8 m -125.03 140.08 35.09 Favored Pre-proline 0 N--CA 1.473 0.725 0 C-N-CA 125.541 1.536 . . . . 0.0 109.98 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.82 -22.1 49.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.409 2.739 . . . . 0.0 114.223 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 30.5 p -59.5 -35.64 74.52 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.65 86.58 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.68 0.792 . . . . 0.0 112.074 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.01 -47.18 72.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.279 1.032 . . . . 0.0 109.516 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -61.58 -39.46 91.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.071 -0.393 . . . . 0.0 111.575 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.86 -35.18 78.08 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.717 -0.614 . . . . 0.0 112.069 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.19 -49.09 71.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.99 -37.46 74.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.014 0.926 . . . . 0.0 113.404 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -74.69 -31.29 61.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.979 1.263 . . . . 0.0 112.196 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.5 m -73.09 -45.3 57.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.689 1.196 . . . . 0.0 111.674 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.34 -36.26 73.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.984 1.714 . . . . 0.0 114.397 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -67.72 -19.64 65.17 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 74.3 m -78.86 163.01 62.78 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 119.128 0.876 . . . . 0.0 112.108 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.09 146.12 18.19 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.1 3.2 . . . . 0.0 114.383 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.4 p -72.49 135.39 45.67 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 112.957 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 75.7 p -164.77 159.09 15.13 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.708 1.603 . . . . 0.0 110.754 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.25 -33.43 90.94 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.571 2.181 . . . . 0.0 111.732 174.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -68.08 -43.01 79.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.471 1.108 . . . . 0.0 111.369 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -67.29 -40.25 86.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.562 -0.711 . . . . 0.0 111.19 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -58.39 -48.72 79.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.714 1.206 . . . . 0.0 109.579 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.35 -38.76 88.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.66 0.784 . . . . 0.0 111.785 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.79 -44.77 96.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.795 1.18 . . . . 0.0 112.014 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 91.6 t -64.12 -41.1 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.861 0.755 . . . . 0.0 110.178 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.59 -37.86 82.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.968 0.804 . . . . 0.0 111.298 174.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -62.06 -46.32 89.65 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.979 1.263 . . . . 0.0 110.593 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.59 -45.62 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.16 1.384 . . . . 0.0 110.608 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.65 -44.05 78.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.497 1.119 . . . . 0.0 112.52 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.83 -22.42 66.91 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.493 1.042 . . . . 0.0 112.922 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 8.9 t -84.0 -14.46 50.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.031 1.332 . . . . 0.0 112.093 174.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -137.08 58.4 17.94 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 127.215 2.206 . . . . 0.0 109.595 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.07 -14.37 44.84 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.178 2.586 . . . . 0.0 117.004 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -56.16 -44.39 79.25 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.47 1.486 . . . . 0.0 112.753 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 1.5 pp -80.97 -27.26 36.06 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.3 ttp -80.04 -45.83 17.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.658 0.783 . . . . 0.0 112.239 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.71 88.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 111.471 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.28 91.09 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.922 -0.486 . . . . 0.0 111.047 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.7 -52.9 62.41 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.982 0.913 . . . . 0.0 111.432 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.4 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.272 0.942 . . . . 0.0 112.793 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -55.5 -27.8 50.74 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.729 1.149 . . . . 0.0 113.024 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.77 -46.6 6.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.421 1.088 . . . . 0.0 111.367 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.97 67.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.364 1.466 . . . . 0.0 114.125 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 13.1 t -59.9 -34.32 73.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.831 1.252 . . . . 0.0 112.203 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.07 -11.0 58.24 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.442 1.097 . . . . 0.0 113.772 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 127.176 2.191 . . . . 0.0 112.867 -179.121 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.7 p . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -44.85 -43.23 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.9 p -66.55 -32.84 74.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.178 0.991 . . . . 0.0 113.67 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -80.09 -26.78 39.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.232 1.413 . . . . 0.0 112.444 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.29 -33.9 77.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.188 0.595 . . . . 0.0 111.522 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -59.51 -33.99 72.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.792 0.723 . . . . 0.0 112.721 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -66.59 -35.62 80.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.515 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 124.35 1.06 . . . . 0.0 112.786 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 32.3 tpp -146.42 149.03 32.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.728 1.211 . . . . 0.0 110.858 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.83 150.61 23.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.481 1.512 . . . . 0.0 113.311 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.2 m -125.93 167.37 17.05 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 127.266 2.226 . . . . 0.0 110.554 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -54.75 -26.68 48.5 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.251 1.967 . . . . 0.0 113.457 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.59 -34.93 69.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.325 1.45 . . . . 0.0 112.89 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -75.0 -28.68 60.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.573 1.149 . . . . 0.0 112.079 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.28 -45.31 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.32 1.448 . . . . 0.0 111.107 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.44 -3.54 11.69 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.87 -1.144 . . . . 0.0 113.003 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -46.28 16.53 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.098 1.359 . . . . 0.0 114.42 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -27.19 63.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -174.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -14.73 33.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.882 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 111.107 0.039 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 32.3 t -150.17 139.03 12.78 Favored Pre-proline 0 N--CA 1.474 0.751 0 O-C-N 121.484 -0.76 . . . . 0.0 112.481 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -65.67 -21.92 58.32 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.631 2.887 . . . . 0.0 113.69 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.2 p -63.62 -32.83 74.43 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.658 1.117 . . . . 0.0 112.519 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.8 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.078 0.951 . . . . 0.0 112.453 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.14 -36.73 80.14 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 110.222 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.46 -41.4 69.47 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.68 -0.637 . . . . 0.0 110.608 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.0 -32.94 74.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.577 1.151 . . . . 0.0 111.683 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.28 -49.89 73.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.632 1.173 . . . . 0.0 109.998 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.06 -44.64 94.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.907 -0.495 . . . . 0.0 111.901 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -65.73 -30.85 71.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.417 1.008 . . . . 0.0 112.171 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 94.4 m -68.49 -43.66 76.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.993 0.917 . . . . 0.0 110.311 174.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.44 -42.9 78.89 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.56 1.073 . . . . 0.0 111.59 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.07 -18.48 60.8 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 67.3 m -71.57 158.07 88.62 Favored Pre-proline 0 N--CA 1.476 0.868 0 C-N-CA 124.019 0.928 . . . . 0.0 112.718 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.5 157.5 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.46 2.107 . . . . 0.0 110.73 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 23.3 t -59.03 122.44 13.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.375 0.67 . . . . 0.0 111.733 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 98.7 p -162.91 158.83 18.9 Favored Pre-proline 0 N--CA 1.472 0.644 0 C-N-CA 125.169 1.388 . . . . 0.0 112.174 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.08 -27.78 73.82 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.911 1.74 . . . . 0.0 111.778 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.01 -43.51 92.27 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.8 0.84 . . . . 0.0 110.861 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.55 -47.37 84.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.582 0.628 . . . . 0.0 110.561 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.43 -44.76 89.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.322 0.649 . . . . 0.0 111.333 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -64.16 -41.65 97.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.433 0.693 . . . . 0.0 111.391 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.02 -41.1 97.71 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.377 0.989 . . . . 0.0 112.624 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 69.2 t -58.94 -47.3 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.126 0.875 . . . . 0.0 109.739 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.81 -44.24 97.14 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.259 0.624 . . . . 0.0 111.509 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -58.12 -50.58 73.01 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.92 0.888 . . . . 0.0 111.579 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.04 -47.47 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.144 1.377 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.0 -51.08 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.418 0.687 . . . . 0.0 111.191 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.04 -21.43 66.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.5 m -78.95 -9.62 59.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.961 0.905 . . . . 0.0 112.366 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -137.76 60.2 23.48 Favored Pre-proline 0 CA--C 1.558 1.26 0 C-N-CA 126.579 1.952 . . . . 0.0 110.873 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.56 -38.5 28.3 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.078 3.186 . . . . 0.0 116.35 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -52.69 -48.07 66.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.534 1.534 . . . . 0.0 113.266 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.69 -27.83 28.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.2 ppp? -79.86 -38.61 32.4 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.559 1.072 . . . . 0.0 113.057 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -69.49 -38.77 77.82 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.443 0.565 . . . . 0.0 112.045 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.42 75.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.478 0.711 . . . . 0.0 112.084 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 34.9 t80 -76.34 -53.19 8.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.039 1.336 . . . . 0.0 112.758 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -42.13 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.066 -1.021 . . . . 0.0 113.407 -177.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -59.06 -21.1 58.61 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -99.05 -36.51 9.68 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.758 0.708 . . . . 0.0 112.008 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -36.14 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.722 1.209 . . . . 0.0 112.346 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 9.6 t -55.57 -30.85 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.859 1.263 . . . . 0.0 113.524 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.98 -14.57 54.98 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 35.5 mmtp . . . . . 0 N--CA 1.474 0.755 0 C-N-CA 126.669 1.988 . . . . 0.0 113.17 -179.93 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -52.04 -35.95 48.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.873 1.269 . . . . 0.0 114.415 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -71.77 -37.78 70.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.24 -24.99 51.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.565 0.62 . . . . 0.0 112.529 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.07 -37.64 69.57 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.82 -0.61 . . . . 0.0 110.782 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -63.35 -31.15 72.22 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -76.91 -19.53 57.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.6 1.16 . . . . 0.0 113.721 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -176.26 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 111.182 0.067 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 24.7 tpp -159.36 135.79 9.13 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.869 0.867 . . . . 0.0 112.057 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 156.64 17.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.116 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -133.98 162.65 56.4 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 126.568 1.947 . . . . 0.0 110.475 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -57.14 -21.68 44.05 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.605 2.203 . . . . 0.0 113.847 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -57.22 -34.7 68.81 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.682 1.193 . . . . 0.0 112.829 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.44 -28.53 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.728 1.211 . . . . 0.0 112.368 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 27.5 mt -83.54 -38.42 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.543 1.537 . . . . 0.0 111.065 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.35 3.86 3.39 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.771 -1.206 . . . . 0.0 113.229 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -54.5 5.04 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.046 1.339 . . . . 0.0 111.987 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -25.65 59.11 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -177.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -11.33 60.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 118.989 0.813 . . . . 0.0 113.035 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.689 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 29.8 pt . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.531 0.205 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 15.7 m -156.61 149.75 18.63 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 125.228 1.411 . . . . 0.0 111.017 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.61 -28.45 44.82 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.094 2.529 . . . . 0.0 113.703 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.8 p -58.37 -35.61 72.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.957 1.303 . . . . 0.0 113.139 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.56 71.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.873 0.869 . . . . 0.0 113.23 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.61 -36.43 73.5 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.532 -0.73 . . . . 0.0 110.54 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.76 -36.25 78.1 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.797 -0.565 . . . . 0.0 110.977 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.99 -38.68 91.75 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.504 -0.748 . . . . 0.0 111.029 174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.74 -47.51 85.97 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.331 -0.856 . . . . 0.0 109.578 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.69 -48.96 79.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.151 0.58 . . . . 0.0 112.171 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -64.55 -29.79 70.82 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.055 0.843 . . . . 0.0 112.985 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 33.4 m -77.78 -38.25 47.08 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.955 0.902 . . . . 0.0 111.243 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.18 -33.64 75.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.561 1.144 . . . . 0.0 111.692 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.64 -29.42 70.62 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 70.6 m -70.27 154.22 94.66 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.587 1.155 . . . . 0.0 111.863 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.43 150.66 84.21 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.757 2.304 . . . . 0.0 112.515 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 45.1 m -62.51 127.4 31.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.91 1.284 . . . . 0.0 113.369 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 89.3 p -160.74 156.68 22.26 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 126.469 1.908 . . . . 0.0 109.638 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -53.5 -34.66 73.22 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.466 2.11 . . . . 0.0 111.963 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -69.07 -48.55 62.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.276 1.431 . . . . 0.0 111.755 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -62.96 -41.59 99.57 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 0.0 110.893 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.22 -50.7 72.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.866 1.266 . . . . 0.0 109.762 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -59.0 -36.27 74.65 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.848 0.859 . . . . 0.0 112.22 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -62.91 -41.41 99.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.025 1.284 . . . . 0.0 112.202 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 85.3 t -62.5 -42.49 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.732 1.151 . . . . 0.0 109.898 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.77 -40.81 93.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.649 -0.657 . . . . 0.0 111.323 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.07 -44.29 96.22 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.887 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 50.4 mt -61.99 -39.53 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.916 1.287 . . . . 0.0 110.522 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.09 -44.88 68.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.411 -0.806 . . . . 0.0 111.084 175.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -62.38 -22.38 66.08 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.377 1.471 . . . . 0.0 113.756 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 68.1 m -69.21 -17.18 63.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.294 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.16 67.88 4.15 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 127.524 2.33 . . . . 0.0 109.807 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.44 -22.57 59.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.839 3.026 . . . . 0.0 116.043 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -43.9 -47.2 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.531 1.932 . . . . 0.0 114.031 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.25 -38.73 30.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.356 1.062 . . . . 0.0 113.552 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.1 ttp -65.34 -42.81 92.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.551 0.741 . . . . 0.0 112.013 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -57.24 -28.92 63.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.836 1.254 . . . . 0.0 114.113 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.45 81.4 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.483 -0.761 . . . . 0.0 112.78 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 10.9 t80 -76.54 -52.67 9.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.009 1.323 . . . . 0.0 112.803 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2102 ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -57.47 -38.54 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -53.59 -27.22 25.41 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -97.32 -38.35 9.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.593 0.757 . . . . 0.0 111.472 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -59.44 -37.13 77.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.938 1.295 . . . . 0.0 112.939 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.2 t -54.49 -31.45 55.94 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.702 1.201 . . . . 0.0 113.585 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.89 49.8 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 10.2 tppt? . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 125.118 1.367 . . . . 0.0 114.034 -179.538 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -57.81 -39.78 78.41 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.847 2.459 . . . . 0.0 114.202 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' B' ' 23' ' ' TRP . 68.5 m -65.56 -30.92 71.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.296 1.039 . . . . 0.0 111.908 176.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -72.31 -27.13 62.25 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.08 1.352 . . . . 0.0 112.774 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.44 -37.1 82.49 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.854 -0.529 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TRP . . . . . 0.475 ' CD1' ' HA ' ' B' ' 20' ' ' SER . 11.0 m95 -60.26 -31.68 70.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.481 0.582 . . . . 0.0 112.241 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.93 -44.12 64.15 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.196 1.399 . . . . 0.0 111.675 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 N--CA 1.47 0.553 0 C-N-CA 125.558 1.543 . . . . 0.0 114.477 -177.551 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 27.0 tpp -154.16 148.92 26.52 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.978 0.911 . . . . 0.0 112.983 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.18 159.56 11.83 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.55 1.54 . . . . 0.0 114.916 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.3 m -122.28 165.72 19.85 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.099 2.56 . . . . 0.0 111.47 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.45 -24.43 61.04 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.44 2.094 . . . . 0.0 114.035 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.83 -35.82 73.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.884 1.273 . . . . 0.0 112.075 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -70.93 -33.27 70.34 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.938 . . . . 0.0 111.588 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -75.36 -43.77 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.847 1.259 . . . . 0.0 111.024 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.48 -7.0 47.63 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.864 -1.148 . . . . 0.0 113.268 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -49.3 9.77 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.786 1.234 . . . . 0.0 113.333 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -24.01 62.15 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -174.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -9.72 50.52 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 57.8 m -84.55 134.79 41.75 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 123.311 0.644 . . . . 0.0 112.212 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.29 -25.83 36.08 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.754 2.303 . . . . 0.0 112.646 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 28.5 p -56.36 -34.05 66.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.453 1.101 . . . . 0.0 112.898 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.5 70.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.629 1.172 . . . . 0.0 112.94 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.5 -49.39 66.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.141 0.977 . . . . 0.0 109.847 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.45 -41.93 96.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.651 0.38 . . . . 0.0 111.394 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.73 -38.64 91.69 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.772 0.829 . . . . 0.0 112.204 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.57 -50.71 68.4 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.108 -0.995 . . . . 0.0 110.003 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.93 -45.26 94.46 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -60.53 -32.02 71.08 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.432 1.015 . . . . 0.0 111.824 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.0 m -75.52 -43.56 48.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.347 1.059 . . . . 0.0 111.196 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.14 -37.77 75.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.713 1.205 . . . . 0.0 112.337 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.92 -16.98 64.35 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.8 m -68.37 162.49 61.09 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.772 1.229 . . . . 0.0 112.305 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.91 153.0 73.43 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.09 1.86 . . . . 0.0 111.182 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 35.0 m -58.65 120.37 8.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.921 1.288 . . . . 0.0 113.156 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.9 p -160.23 159.18 26.61 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.118 0.967 . . . . 0.0 113.15 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -57.71 -33.83 97.31 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.589 2.193 . . . . 0.0 111.617 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -63.83 -43.99 94.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.986 1.314 . . . . 0.0 111.343 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.29 -49.29 76.22 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.653 0.781 . . . . 0.0 110.574 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.01 -47.88 81.71 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.218 0.607 . . . . 0.0 110.481 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.09 -40.53 89.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.926 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.53 -44.21 94.89 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.929 1.24 . . . . 0.0 112.6 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 59.2 t -63.43 -40.86 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 119.748 1.158 . . . . 0.0 110.205 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.08 -39.81 91.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.624 0.647 . . . . 0.0 111.224 174.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -62.1 -47.0 86.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 110.918 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.24 -44.5 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.134 1.374 . . . . 0.0 110.726 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.24 -42.69 79.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.115 0.966 . . . . 0.0 112.21 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.67 -23.11 67.24 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.231 1.012 . . . . 0.0 112.296 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 47.4 m -80.96 -8.35 59.74 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.516 1.126 . . . . 0.0 112.282 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -138.13 58.95 16.57 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.255 2.222 . . . . 0.0 110.53 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.21 -32.68 41.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.54 2.827 . . . . 0.0 115.923 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -50.9 -50.22 57.78 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.772 1.629 . . . . 0.0 112.76 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.77 -28.7 27.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 4.8 ttp -72.02 -52.18 18.19 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.19 0.596 . . . . 0.0 112.032 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.83 85.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.408 1.083 . . . . 0.0 112.325 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.7 95.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.901 0.48 . . . . 0.0 111.555 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.3 -52.68 21.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.575 0.75 . . . . 0.0 112.701 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -43.22 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.812 0.733 . . . . 0.0 112.776 -176.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 10.8 mtpm? -60.76 -19.42 59.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -98.54 -42.48 7.28 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.122 174.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -62.79 -36.93 84.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.388 1.475 . . . . 0.0 112.984 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -56.27 -29.68 61.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.14 0.976 . . . . 0.0 113.064 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.24 -13.46 28.34 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.58 1.152 . . . . 0.0 113.986 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 44.8 tptt . . . . . 0 N--CA 1.478 0.938 0 C-N-CA 126.759 2.024 . . . . 0.0 112.644 178.599 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 121.035 0.445 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -35.64 -43.03 0.26 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.239 2.215 . . . . 0.0 116.639 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -60.28 -34.49 73.82 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -90.62 -26.98 19.37 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.003 1.321 . . . . 0.0 111.411 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.4 -35.96 76.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.512 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -57.55 -36.23 71.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.447 1.022 . . . . 0.0 112.833 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.28 -31.88 49.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.178 1.391 . . . . 0.0 113.14 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 mt . . . . . 0 CA--C 1.537 0.442 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -175.716 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 31.9 tpp -151.14 159.88 44.2 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.744 0.817 . . . . 0.0 113.087 -174.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.54 149.38 48.83 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.834 0.854 . . . . 0.0 111.728 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -130.93 166.63 26.14 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 127.269 2.228 . . . . 0.0 111.046 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -54.86 -28.24 57.33 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.621 2.214 . . . . 0.0 113.95 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.45 -34.42 72.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.306 1.042 . . . . 0.0 112.843 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -77.28 -30.57 54.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.331 1.052 . . . . 0.0 111.884 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.64 -35.57 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.55 1.54 . . . . 0.0 111.471 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.67 -3.34 30.8 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.204 -1.56 . . . . 0.0 113.302 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -46.67 12.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.049 1.34 . . . . 0.0 114.303 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -19.65 55.31 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -173.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -12.7 36.2 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -174.84 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 37.7 t -162.47 145.29 8.64 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 123.963 0.905 . . . . 0.0 112.217 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -62.07 -19.73 67.31 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.026 2.484 . . . . 0.0 113.208 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.8 p -64.77 -32.36 74.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.152 -0.968 . . . . 0.0 111.808 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.67 -33.71 73.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.251 1.02 . . . . 0.0 112.538 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.28 -32.41 71.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.188 0.995 . . . . 0.0 109.79 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.06 -36.67 66.92 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.783 -0.573 . . . . 0.0 110.669 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -64.29 -34.33 77.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.391 -0.818 . . . . 0.0 111.196 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.53 -45.03 95.38 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.375 -0.828 . . . . 0.0 109.559 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.66 -48.41 81.92 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.791 -0.624 . . . . 0.0 111.856 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -62.94 -31.48 72.59 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 119.951 1.25 . . . . 0.0 112.353 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 97.9 m -69.63 -40.96 76.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.513 1.125 . . . . 0.0 111.102 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 31.1 tp -63.11 -38.74 92.37 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.231 -0.918 . . . . 0.0 110.352 174.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -74.57 45.39 0.24 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.507 1.923 . . . . 0.0 114.233 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 16.1 p -146.08 161.41 39.59 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.297 1.439 . . . . 0.0 111.606 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 157.44 39.19 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.817 2.345 . . . . 0.0 113.093 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.0 m -54.49 107.93 0.33 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.934 1.694 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -159.83 160.05 27.38 Favored Pre-proline 0 N--CA 1.472 0.668 0 C-N-CA 123.946 0.899 . . . . 0.0 112.804 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -59.72 -29.59 90.07 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.398 2.066 . . . . 0.0 111.889 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.023 0.929 . . . . 0.0 111.369 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.0 -44.96 95.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.25 0.62 . . . . 0.0 110.219 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.87 -40.93 97.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.829 0.852 . . . . 0.0 111.645 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -62.72 -40.02 95.87 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.678 -0.638 . . . . 0.0 110.694 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -61.16 -45.85 92.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.737 0.699 . . . . 0.0 110.671 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 95.1 t -58.18 -48.81 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 118.744 0.702 . . . . 0.0 110.244 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.25 -46.17 83.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.089 0.956 . . . . 0.0 111.465 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -60.04 -48.95 79.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.799 0.84 . . . . 0.0 111.835 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.89 -53.7 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.37 1.068 . . . . 0.0 110.073 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.77 -42.96 99.93 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.89 -26.64 68.41 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.255 1.389 . . . . 0.0 112.73 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 45.8 m -84.31 -6.46 59.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.409 1.084 . . . . 0.0 112.464 174.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -133.07 63.53 67.01 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.861 2.064 . . . . 0.0 110.131 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -57.76 -39.33 88.18 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.127 3.218 . . . . 0.0 114.525 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -41.62 76.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.01 -35.68 23.69 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.728 0.695 . . . . 0.0 112.758 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.3 -52.37 48.0 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.197 0.599 . . . . 0.0 112.233 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.449 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -65.62 -34.6 78.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.276 0.63 . . . . 0.0 111.547 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.05 96.66 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.605 -0.684 . . . . 0.0 110.743 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.74 -53.21 23.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.09 0.956 . . . . 0.0 113.093 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2102 ' ' ILE . . . . . 0.449 HG22 ' HA ' ' A' 2099 ' ' ALA . 0.1 OUTLIER -61.55 -42.87 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.719 1.145 . . . . 0.0 112.668 -177.549 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.92 -16.37 50.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.789 0.722 . . . . 0.0 112.935 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -99.14 -45.68 5.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 111.702 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.4 75.26 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.923 1.289 . . . . 0.0 112.711 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.2 t -51.46 -32.7 28.02 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.926 1.291 . . . . 0.0 112.858 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.93 -17.95 64.03 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.135 1.374 . . . . 0.0 114.344 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 N--CA 1.483 1.2 0 C-N-CA 127.02 2.128 . . . . 0.0 114.174 -175.387 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 63.2 p . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -48.48 -34.27 10.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.236 1.014 . . . . 0.0 113.684 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -62.58 -31.44 72.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.85 1.26 . . . . 0.0 113.893 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.72 -23.63 29.24 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 111.856 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.36 -34.61 75.59 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.479 -0.763 . . . . 0.0 110.825 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -58.75 -34.2 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.156 0.582 . . . . 0.0 112.265 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -77.73 -34.21 52.69 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.999 1.32 . . . . 0.0 112.217 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 124.439 1.096 . . . . 0.0 112.429 178.517 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 121.126 0.489 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.7 tpp -142.03 132.98 25.91 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.88 1.272 . . . . 0.0 110.945 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.417 HD22 ' H ' ' B' ' 45' ' ' LEU . 2.8 mm? -60.56 175.34 0.47 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.354 3.062 . . . . 0.0 114.51 -176.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -126.67 164.89 31.77 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.618 2.367 . . . . 0.0 109.499 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -56.2 -28.63 71.93 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.356 2.037 . . . . 0.0 113.724 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -27.02 65.47 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.109 1.364 . . . . 0.0 113.419 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -91.49 -28.77 17.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 111.792 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 50.4 mt -81.78 -32.22 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.984 1.314 . . . . 0.0 111.297 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.91 2.62 4.09 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.64 -1.287 . . . . 0.0 112.998 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -78.47 -60.18 2.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.472 1.509 . . . . 0.0 113.104 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -20.79 61.59 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -172.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -9.96 59.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -177.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 19.0 pt . . . . . 0 N--CA 1.471 0.608 0 CA-C-O 120.459 0.171 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.4 m -145.23 136.57 12.65 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.687 1.195 . . . . 0.0 111.197 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.38 -24.46 31.38 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.008 2.472 . . . . 0.0 112.415 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 27.0 p -55.85 -31.5 62.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.065 0.946 . . . . 0.0 112.72 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.08 71.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.368 1.067 . . . . 0.0 112.194 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.67 -41.75 68.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.928 1.291 . . . . 0.0 110.487 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -67.05 -42.14 85.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.547 -0.721 . . . . 0.0 111.103 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -66.34 -29.45 69.64 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.671 -0.643 . . . . 0.0 112.353 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.35 -50.1 69.05 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.207 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 39.8 mt -59.61 -46.65 88.35 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 118.785 -0.626 . . . . 0.0 112.618 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.63 -29.71 70.24 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.599 1.09 . . . . 0.0 112.145 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 85.9 m -73.8 -41.71 61.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.481 1.112 . . . . 0.0 110.343 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.39 -33.99 74.6 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.588 1.555 . . . . 0.0 111.943 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -57.48 -27.29 62.38 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -66.04 160.18 65.34 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.901 1.28 . . . . 0.0 112.503 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.62 150.88 83.71 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.102 1.868 . . . . 0.0 111.392 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.6 m -55.54 122.61 11.68 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.715 1.606 . . . . 0.0 113.644 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 94.8 p -163.23 159.26 18.3 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -59.79 -28.13 86.54 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.901 2.401 . . . . 0.0 112.209 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -65.6 -44.08 87.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.017 0.927 . . . . 0.0 110.701 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -62.13 -46.41 89.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.171 0.989 . . . . 0.0 110.774 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.59 -50.41 70.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.974 1.31 . . . . 0.0 110.696 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.13 -40.67 98.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.114 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.44 -41.67 98.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.801 1.182 . . . . 0.0 112.7 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.7 t -64.72 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.754 1.161 . . . . 0.0 110.617 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.65 -43.53 97.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.837 0.744 . . . . 0.0 110.38 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.61 -46.62 89.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.686 0.794 . . . . 0.0 111.236 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.43 -45.94 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.158 1.383 . . . . 0.0 110.94 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.55 -43.91 75.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.857 0.863 . . . . 0.0 113.085 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.36 -13.88 59.57 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 61.8 m -81.36 -9.77 59.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.794 1.238 . . . . 0.0 112.553 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.3 p30 -148.41 61.75 5.98 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 127.832 2.453 . . . . 0.0 109.548 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -62.69 -15.91 49.56 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.631 2.888 . . . . 0.0 115.645 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -52.63 -47.65 66.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.256 1.422 . . . . 0.0 111.753 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.82 -28.01 28.36 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 15.5 tmm? -70.24 -47.12 62.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.764 0.826 . . . . 0.0 111.92 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.04 76.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.343 0.657 . . . . 0.0 112.062 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.07 -39.47 82.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.691 -0.631 . . . . 0.0 110.735 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.13 -52.52 63.53 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.962 0.905 . . . . 0.0 111.534 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -38.4 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.415 1.007 . . . . 0.0 111.949 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.87 -28.83 62.29 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.197 0.908 . . . . 0.0 112.884 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.99 -42.67 9.32 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.383 0.673 . . . . 0.0 111.633 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -32.72 73.3 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.158 1.383 . . . . 0.0 113.47 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.6 t -59.5 -31.27 69.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.594 1.157 . . . . 0.0 112.808 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.18 -13.69 40.25 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.5 1.12 . . . . 0.0 113.837 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 21.4 tptp . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 126.558 1.943 . . . . 0.0 112.61 179.392 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.056 -0.021 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.93 -30.6 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.958 1.303 . . . . 0.0 113.488 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -56.28 -37.24 69.57 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.942 1.697 . . . . 0.0 113.128 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -83.0 -29.76 28.68 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.816 1.247 . . . . 0.0 111.918 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.01 -35.61 77.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.236 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -60.95 -30.68 70.38 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.593 1.088 . . . . 0.0 112.436 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -75.27 -23.2 57.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.984 1.314 . . . . 0.0 113.344 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 124.677 1.191 . . . . 0.0 113.499 178.846 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 122.068 0.937 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 138.74 55.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.882 0.873 . . . . 0.0 111.797 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.0 155.17 20.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.676 1.191 . . . . 0.0 112.999 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -135.76 167.31 22.74 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 127.211 2.204 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -55.09 -26.61 51.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.621 2.214 . . . . 0.0 113.919 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.67 -33.41 71.53 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.469 1.107 . . . . 0.0 112.81 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -77.7 -35.86 51.73 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.291 1.036 . . . . 0.0 111.343 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 43.7 mt -73.23 -36.99 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.243 1.417 . . . . 0.0 111.166 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.86 -5.25 45.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 113.3 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -47.28 11.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -22.97 60.16 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -173.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -17.11 34.66 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 22.3 pt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 74.4 m -91.47 123.08 64.85 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 123.985 0.914 . . . . 0.0 109.168 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.93 -23.27 74.17 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.879 2.386 . . . . 0.0 114.139 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.3 p -64.32 -36.75 85.12 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.942 0.897 . . . . 0.0 112.314 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.18 74.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.386 1.074 . . . . 0.0 112.433 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -42.32 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.013 0.925 . . . . 0.0 110.029 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.55 -37.77 74.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.865 -0.522 . . . . 0.0 111.256 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -65.98 -31.0 71.66 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.502 -0.749 . . . . 0.0 111.7 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.29 -44.17 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.829 -1.169 . . . . 0.0 109.845 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.21 -48.55 79.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.902 -0.571 . . . . 0.0 112.357 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -60.87 -34.41 74.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.676 1.125 . . . . 0.0 111.704 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.3 m -69.54 -43.82 72.2 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.391 1.076 . . . . 0.0 110.832 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.47 -40.54 93.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.057 1.343 . . . . 0.0 112.483 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.29 -33.12 75.24 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.292 1.037 . . . . 0.0 113.603 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 36.1 m -72.63 159.95 84.06 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.496 1.118 . . . . 0.0 111.204 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -61.72 149.66 89.0 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.671 2.247 . . . . 0.0 113.461 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.5 t -77.86 147.57 35.07 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.274 1.429 . . . . 0.0 114.087 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 77.9 p -168.89 162.87 7.95 Favored Pre-proline 0 N--CA 1.473 0.689 0 C-N-CA 127.413 2.285 . . . . 0.0 109.931 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -56.2 -33.12 89.76 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.407 2.071 . . . . 0.0 111.731 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -67.37 -43.11 82.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.56 1.144 . . . . 0.0 110.64 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -64.47 -40.12 95.11 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.987 0.915 . . . . 0.0 111.438 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.44 -48.39 81.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.927 0.891 . . . . 0.0 109.919 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.78 -37.79 77.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.061 0.544 . . . . 0.0 111.658 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -60.8 -45.0 96.12 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.257 0.935 . . . . 0.0 112.516 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 94.7 t -64.85 -42.91 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.073 0.851 . . . . 0.0 110.277 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.01 -38.54 82.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.611 -0.681 . . . . 0.0 111.138 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.43 -46.11 84.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.756 1.162 . . . . 0.0 111.003 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.85 -44.97 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.974 1.31 . . . . 0.0 110.28 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.26 -46.38 77.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 112.166 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -62.33 -27.23 68.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.655 1.182 . . . . 0.0 112.533 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.5 m -77.84 -7.5 56.75 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.536 1.134 . . . . 0.0 112.639 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.83 61.39 35.36 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.256 2.222 . . . . 0.0 110.149 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.65 -37.7 21.03 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 124.182 3.254 . . . . 0.0 116.391 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -47.54 -47.85 27.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.852 1.661 . . . . 0.0 113.413 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.64 -30.72 26.65 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 22.8 ttp -80.01 -45.68 17.97 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.602 -0.686 . . . . 0.0 112.241 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.91 69.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -74.89 -37.92 62.01 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 122.996 0.518 . . . . 0.0 112.066 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.31 -49.47 27.31 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.116 0.967 . . . . 0.0 112.687 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2102 ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -54.78 -37.53 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.64 0.776 . . . . 0.0 111.45 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.92 -20.76 62.61 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -94.58 -42.28 8.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.515 1.126 . . . . 0.0 109.967 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -38.33 80.57 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.203 1.401 . . . . 0.0 112.958 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -57.13 -32.87 66.8 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.147 0.979 . . . . 0.0 113.073 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.49 -19.05 65.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.628 0.771 . . . . 0.0 113.032 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2108 ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' 2108 ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 126.535 1.934 . . . . 0.0 111.982 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -47.2 -38.96 12.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.134 1.374 . . . . 0.0 114.571 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -65.19 -33.26 75.59 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.947 0.899 . . . . 0.0 113.094 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -76.13 -25.51 55.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.398 1.079 . . . . 0.0 112.662 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.91 -34.47 78.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.567 -0.708 . . . . 0.0 110.829 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -61.06 -32.94 72.56 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.221 0.609 . . . . 0.0 112.489 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -74.57 -32.23 62.33 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.067 1.347 . . . . 0.0 112.027 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.472 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.31 177.25 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 120.378 0.132 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.94 140.41 28.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.052 -176.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.2 mt -69.01 167.46 15.87 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.965 0.888 . . . . 0.0 112.755 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.2 m -127.97 165.08 32.84 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 127.095 2.158 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.46 -24.09 59.31 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.03 1.82 . . . . 0.0 112.892 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.3 -33.13 67.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.391 1.476 . . . . 0.0 112.582 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -75.58 -30.17 59.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.418 1.087 . . . . 0.0 112.22 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.3 -40.22 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 110.397 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.46 -2.26 27.92 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.828 -1.17 . . . . 0.0 113.001 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -55.07 4.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.471 1.108 . . . . 0.0 112.944 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -26.48 67.9 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -174.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -16.93 43.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2063 ' ' ILE . . . . . 0.521 HG22 ' CD ' ' A' 2096 ' ' GLN . 1.4 pp . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 52.0 m -129.04 131.88 24.0 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.177 0.991 . . . . 0.0 112.945 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.47 -21.92 19.06 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.39 2.727 . . . . 0.0 113.495 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 33.1 p -73.73 -30.78 63.02 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.611 1.164 . . . . 0.0 113.605 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.71 73.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.987 0.812 . . . . 0.0 111.467 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.25 -44.29 79.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.514 1.526 . . . . 0.0 109.623 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.959 -0.463 . . . . 0.0 111.419 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.81 -33.78 76.81 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.359 1.064 . . . . 0.0 111.628 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.28 -49.17 72.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.95 -47.08 83.97 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -61.52 -26.96 68.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.411 1.005 . . . . 0.0 112.878 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 62.9 m -81.55 -42.27 20.4 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.952 1.301 . . . . 0.0 111.305 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 44.4 tp -56.73 -28.41 61.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.756 1.622 . . . . 0.0 113.007 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -59.71 -23.19 62.95 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.6 m -73.43 149.44 88.82 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.219 1.007 . . . . 0.0 111.011 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.32 153.94 73.93 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.959 2.439 . . . . 0.0 113.98 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 46.1 m -55.57 119.92 6.42 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.305 1.842 . . . . 0.0 113.42 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -166.84 161.69 11.28 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 125.25 1.42 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.72 -32.37 83.79 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.571 2.181 . . . . 0.0 111.788 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.96 -49.34 75.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.087 1.355 . . . . 0.0 111.033 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -62.2 -46.94 86.69 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.563 1.145 . . . . 0.0 110.747 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.98 -50.49 73.89 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.665 0.786 . . . . 0.0 111.607 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.31 -39.91 94.57 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.157 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -63.41 -47.35 82.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.037 1.289 . . . . 0.0 111.718 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.5 t -58.73 -43.71 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.894 0.77 . . . . 0.0 110.681 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.73 -40.29 95.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.797 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.57 -43.68 97.02 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.899 1.227 . . . . 0.0 110.779 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.7 -47.19 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.443 1.097 . . . . 0.0 109.86 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.23 -36.25 83.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.911 0.885 . . . . 0.0 112.781 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.67 -19.29 62.17 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.657 -1.277 . . . . 0.0 113.392 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.7 m -83.98 -4.21 58.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.381 1.073 . . . . 0.0 112.566 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.11 65.94 7.65 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 128.478 2.711 . . . . 0.0 107.933 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.7 -27.59 68.62 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.961 2.441 . . . . 0.0 113.967 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2096 ' ' GLN . . . . . 0.521 ' CD ' HG22 ' A' 2063 ' ' ILE . 0.0 OUTLIER -29.8 -71.53 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 128.847 2.859 . . . . 0.0 115.067 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2097 ' ' LEU . . . . . 0.502 ' H ' ' CG ' ' A' 2096 ' ' GLN . 3.3 pp -71.49 -34.7 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.254 2.222 . . . . 0.0 114.527 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 38.6 ttp -68.99 -45.09 71.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.72 0.691 . . . . 0.0 111.223 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.77 -46.1 91.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 111.665 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.73 84.46 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.527 -0.733 . . . . 0.0 112.037 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.37 -53.29 20.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.511 0.724 . . . . 0.0 111.946 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.14 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.367 0.985 . . . . 0.0 111.535 -177.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -58.04 -25.78 61.63 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.13 -37.44 9.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.363 1.065 . . . . 0.0 112.176 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -29.22 67.29 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.513 1.525 . . . . 0.0 113.385 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.6 t -57.17 -34.56 68.59 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.238 1.015 . . . . 0.0 112.127 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -61.16 -14.53 25.64 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.089 1.356 . . . . 0.0 113.674 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmtp . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 126.995 2.118 . . . . 0.0 113.196 -178.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -40.01 -49.99 2.53 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.4 m -61.71 -36.69 81.64 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -87.6 -25.02 23.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.292 0.496 . . . . 0.0 112.08 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.14 -33.23 68.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.544 0.738 . . . . 0.0 110.621 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -69.33 -46.49 66.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.903 0.774 . . . . 0.0 111.62 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.69 -30.9 71.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 113.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.783 1.233 . . . . 0.0 113.508 177.796 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 21.6 tpp -158.06 161.19 38.0 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.181 1.392 . . . . 0.0 111.089 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.02 127.13 31.79 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.822 0.849 . . . . 0.0 110.775 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -83.38 163.55 49.47 Favored Pre-proline 0 N--CA 1.47 0.557 0 C-N-CA 125.371 1.468 . . . . 0.0 110.824 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.9 -27.39 84.72 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 121.735 1.623 . . . . 0.0 111.172 175.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -36.01 76.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.603 1.961 . . . . 0.0 112.897 175.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.57 -30.92 69.8 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.566 -0.709 . . . . 0.0 111.608 176.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mt -79.82 -40.35 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.755 1.222 . . . . 0.0 111.492 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.21 -0.24 16.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.566 -1.334 . . . . 0.0 113.512 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -51.19 7.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.859 1.264 . . . . 0.0 114.022 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -25.38 62.46 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.03 -9.98 51.74 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.109 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 44.8 pt . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 111.366 0.136 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -132.79 148.84 71.08 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.451 1.1 . . . . 0.0 113.12 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.84 -25.59 32.96 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.657 2.905 . . . . 0.0 114.259 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.1 p -58.27 -36.51 73.37 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.769 1.628 . . . . 0.0 113.186 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.68 -41.9 82.51 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.634 1.173 . . . . 0.0 112.736 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -34.64 76.21 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.059 0.544 . . . . 0.0 111.502 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.21 -40.43 82.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.899 -0.5 . . . . 0.0 110.374 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.2 -34.39 77.92 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.792 0.837 . . . . 0.0 111.151 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.55 -44.01 83.51 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.407 -0.808 . . . . 0.0 109.974 175.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.66 -48.63 80.91 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.717 0.69 . . . . 0.0 111.595 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -63.19 -35.0 78.85 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.383 0.992 . . . . 0.0 111.871 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.4 m -62.11 -48.53 79.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.22 1.008 . . . . 0.0 110.361 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.18 -37.61 88.1 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.736 0.815 . . . . 0.0 112.094 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -63.31 -35.48 80.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.6 0.76 . . . . 0.0 112.706 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.9 m -70.62 152.25 95.32 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 110.662 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.51 152.48 80.02 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.949 2.433 . . . . 0.0 114.501 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 14.0 p -61.85 133.66 55.74 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.038 1.735 . . . . 0.0 114.356 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 92.3 p -168.77 161.3 8.37 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 126.574 1.95 . . . . 0.0 110.44 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.63 -34.9 75.48 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.668 2.245 . . . . 0.0 111.83 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -66.59 -39.95 88.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.756 1.222 . . . . 0.0 111.506 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -45.04 87.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.414 0.686 . . . . 0.0 111.065 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -61.11 -44.7 96.95 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.228 1.011 . . . . 0.0 110.58 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.1 -36.86 85.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.965 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -58.32 -40.48 82.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.194 0.906 . . . . 0.0 111.849 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 92.1 t -60.89 -46.66 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.81 0.732 . . . . 0.0 109.972 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.92 -36.84 77.87 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.828 0.74 . . . . 0.0 111.955 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -63.06 -47.62 82.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.365 0.984 . . . . 0.0 110.923 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.46 -46.12 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.462 1.505 . . . . 0.0 110.595 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.36 -43.62 85.48 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.055 0.942 . . . . 0.0 111.842 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -66.17 -19.63 65.89 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.955 1.252 . . . . 0.0 113.388 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.5 m -80.26 -8.55 59.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.01 0.924 . . . . 0.0 111.873 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -140.33 62.74 20.69 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 127.681 2.392 . . . . 0.0 109.405 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -56.33 -28.66 73.22 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.144 2.563 . . . . 0.0 115.497 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -51.49 -48.15 62.99 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.938 1.295 . . . . 0.0 112.874 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.58 -32.6 36.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.0 ppp? -80.33 -37.86 31.7 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.624 1.102 . . . . 0.0 113.673 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.72 70.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.665 0.666 . . . . 0.0 112.028 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.46 -42.39 78.83 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.998 -0.439 . . . . 0.0 111.002 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.75 -52.87 63.27 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 111.979 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -37.89 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.089 0.858 . . . . 0.0 113.244 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -52.86 -32.77 46.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.304 0.956 . . . . 0.0 113.129 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -95.3 -40.72 9.4 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.805 0.842 . . . . 0.0 111.349 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -61.65 -30.98 71.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.0 t -55.46 -31.69 62.17 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.41 1.005 . . . . 0.0 112.775 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.88 58.97 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.042 1.337 . . . . 0.0 113.924 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 N--CA 1.481 1.113 0 C-N-CA 127.661 2.384 . . . . 0.0 113.433 -176.064 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -54.01 -40.03 66.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.524 0.73 . . . . 0.0 112.247 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -60.85 -35.5 76.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.385 1.074 . . . . 0.0 112.773 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -77.39 -30.85 53.85 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.71 -40.31 72.24 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.707 -0.621 . . . . 0.0 110.7 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -67.21 -15.68 63.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -88.65 -31.6 18.46 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.138 0.975 . . . . 0.0 111.078 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 CA--C 1.54 0.567 0 C-N-CA 124.517 1.127 . . . . 0.0 112.939 -179.503 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttm -158.3 155.29 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.015 1.326 . . . . 0.0 111.865 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.53 167.95 8.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.965 1.306 . . . . 0.0 113.43 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.408 ' HB2' ' HD2' ' B' ' 47' ' ' PRO . 21.9 p -133.62 171.84 8.4 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 128.552 2.741 . . . . 0.0 110.602 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' B' ' 46' ' ' SER . 44.0 Cg_endo -62.5 -22.98 74.69 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 121.566 1.511 . . . . 0.0 112.495 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.0 -30.65 71.65 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.526 1.13 . . . . 0.0 111.863 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.28 -28.57 57.08 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.68 -36.06 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.89 0.73 50.07 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.459 -0.776 . . . . 0.0 112.77 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.12 -57.87 3.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.781 -1.199 . . . . 0.0 111.821 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -23.6 66.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -174.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.04 -13.64 35.52 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 37.5 pt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 16.8 m -154.74 146.87 17.33 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.844 1.258 . . . . 0.0 111.502 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.79 -19.87 26.88 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.608 2.872 . . . . 0.0 113.612 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 35.4 p -57.74 -33.68 68.71 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.298 0.954 . . . . 0.0 112.788 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.28 67.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.425 1.09 . . . . 0.0 112.752 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.03 -46.07 68.88 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.967 0.907 . . . . 0.0 109.974 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.22 -38.71 91.26 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.493 -0.755 . . . . 0.0 110.837 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -37.94 88.02 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.522 0.729 . . . . 0.0 111.787 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.42 -49.09 75.12 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.646 0.778 . . . . 0.0 109.286 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.49 -47.34 84.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.284 0.633 . . . . 0.0 112.402 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -62.97 -27.24 69.26 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.184 0.902 . . . . 0.0 112.916 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 91.5 m -79.07 -43.69 23.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.465 1.106 . . . . 0.0 110.992 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.36 -33.45 74.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.148 1.779 . . . . 0.0 112.887 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 55.5 mttm -72.73 40.99 0.09 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.203 1.801 . . . . 0.0 114.411 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.7 m -147.1 168.69 10.8 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 128.138 2.575 . . . . 0.0 110.801 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -54.6 149.99 37.33 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.95 3.1 . . . . 0.0 114.738 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 74.6 m -73.09 126.7 30.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.371 1.068 . . . . 0.0 112.382 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.4 p -163.88 158.45 16.62 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 124.923 1.289 . . . . 0.0 111.909 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.89 -23.98 74.25 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 121.888 1.725 . . . . 0.0 111.633 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.82 -42.36 77.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.181 0.992 . . . . 0.0 110.61 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.86 -45.97 91.46 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.681 -0.637 . . . . 0.0 109.824 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.53 -45.27 89.22 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.21 0.604 . . . . 0.0 110.788 176.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.15 -42.69 91.3 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.54 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -63.9 -42.61 97.39 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.893 1.224 . . . . 0.0 111.908 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 76.9 t -62.1 -42.5 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.332 0.969 . . . . 0.0 110.355 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.76 -39.32 93.8 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.405 -0.81 . . . . 0.0 111.379 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.86 -44.07 97.52 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.403 1.001 . . . . 0.0 110.514 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 56.0 mt -63.93 -42.17 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.426 1.491 . . . . 0.0 110.922 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 -36.1 69.17 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.324 1.05 . . . . 0.0 113.11 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.22 -24.8 60.43 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.752 1.221 . . . . 0.0 113.969 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.8 m -78.61 -6.77 56.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.462 1.105 . . . . 0.0 113.325 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -146.79 64.68 9.4 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 127.615 2.366 . . . . 0.0 109.356 -178.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -62.07 -23.54 75.75 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.506 2.804 . . . . 0.0 115.673 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -45.87 -47.64 16.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.148 1.379 . . . . 0.0 113.562 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.01 -34.71 24.25 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 7.4 ptm -80.17 -34.64 37.38 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.489 1.04 . . . . 0.0 113.317 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.77 81.75 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.387 0.54 . . . . 0.0 111.764 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.08 83.14 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.617 -0.677 . . . . 0.0 111.499 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.77 -52.94 61.25 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.637 0.375 . . . . 0.0 111.862 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -43.24 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 118.937 0.79 . . . . 0.0 111.846 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -63.07 -14.84 53.22 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.71 -41.74 7.55 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.495 1.118 . . . . 0.0 110.346 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -58.0 -42.04 84.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.404 1.882 . . . . 0.0 112.052 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.1 t -58.17 -30.09 66.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.173 1.389 . . . . 0.0 113.937 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.39 75.07 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.095 -1.003 . . . . 0.0 112.975 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 26.9 tptp . . . . . 0 N--CA 1.478 0.946 0 C-N-CA 124.521 1.128 . . . . 0.0 112.136 177.076 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.55 -34.04 3.1 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.703 1.601 . . . . 0.0 113.985 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -53.99 -36.64 63.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.526 1.13 . . . . 0.0 113.338 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.06 -26.33 27.05 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.56 -38.77 88.68 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.755 -0.591 . . . . 0.0 109.675 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -66.12 -20.95 66.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -83.02 -6.34 59.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.531 1.133 . . . . 0.0 112.407 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 CA--C 1.54 0.589 0 C-N-CA 125.552 1.541 . . . . 0.0 112.481 -178.795 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.5 tpp -160.51 166.98 28.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.22 1.808 . . . . 0.0 110.687 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.02 175.21 1.27 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.235 1.414 . . . . 0.0 113.285 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -131.98 160.87 65.89 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 128.083 2.553 . . . . 0.0 110.014 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -56.08 -22.62 40.19 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.138 1.892 . . . . 0.0 112.014 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.19 -35.76 74.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 112.393 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.44 -30.3 68.19 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.006 0.922 . . . . 0.0 111.765 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 11.0 mt -77.71 -45.56 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.477 1.111 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.29 -5.29 38.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.48 -0.762 . . . . 0.0 112.979 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -59.99 2.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.794 1.238 . . . . 0.0 112.628 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -26.43 68.1 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -172.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -10.28 49.08 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 39.2 pt . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 75.0 m -141.33 139.83 19.67 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.29 1.436 . . . . 0.0 110.419 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -64.3 -25.71 64.23 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.1 2.533 . . . . 0.0 113.694 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.4 p -65.01 -35.13 80.19 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.923 1.289 . . . . 0.0 113.464 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.8 74.02 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.678 -0.639 . . . . 0.0 112.237 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.9 -34.99 74.26 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.538 -0.727 . . . . 0.0 110.356 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.88 -34.24 76.28 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.502 -0.748 . . . . 0.0 110.069 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.68 -31.04 71.46 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.157 0.983 . . . . 0.0 111.213 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.6 tt -68.09 -39.39 82.89 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.797 -1.19 . . . . 0.0 109.349 172.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.77 -41.21 99.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.421 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -59.75 -31.24 69.46 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.141 1.791 . . . . 0.0 111.743 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 36.2 m -72.84 -42.77 63.41 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.258 1.423 . . . . 0.0 110.238 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.59 -40.62 97.48 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.857 1.263 . . . . 0.0 111.575 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -71.6 6.86 1.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.548 1.539 . . . . 0.0 113.878 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.8 m -121.69 150.62 55.71 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.283 1.833 . . . . 0.0 110.825 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -69.35 152.18 71.42 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.293 2.662 . . . . 0.0 114.435 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.0 m -61.05 136.9 58.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.685 1.594 . . . . 0.0 114.013 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 79.4 p -166.09 164.0 11.59 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.827 2.051 . . . . 0.0 109.724 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.01 -32.97 88.07 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.362 2.042 . . . . 0.0 111.711 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -68.86 -44.26 73.69 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.231 . . . . 0.0 110.784 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.54 98.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.812 0.845 . . . . 0.0 111.049 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.34 -47.01 85.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.42 1.088 . . . . 0.0 110.533 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -64.92 -38.82 92.24 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.901 -0.499 . . . . 0.0 112.019 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -57.96 -48.03 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.371 0.987 . . . . 0.0 111.354 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 93.3 t -57.5 -49.75 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.703 0.683 . . . . 0.0 110.315 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.28 -42.89 96.41 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.86 -47.76 81.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.256 0.934 . . . . 0.0 111.732 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 70.4 mt -62.4 -43.13 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 110.834 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.7 mt -66.73 -46.56 75.07 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.612 -0.68 . . . . 0.0 111.394 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -63.35 -19.57 64.75 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.133 -0.979 . . . . 0.0 113.307 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 59.9 m -78.17 -7.93 57.67 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.102 0.961 . . . . 0.0 111.968 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -137.44 58.02 15.92 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 127.33 2.252 . . . . 0.0 110.863 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.35 -35.43 44.37 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 123.688 2.926 . . . . 0.0 115.967 -175.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -52.23 -48.68 65.02 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.207 1.403 . . . . 0.0 112.928 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -35.34 23.93 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -73.13 -36.14 66.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.477 1.035 . . . . 0.0 113.451 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.9 83.94 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.975 0.807 . . . . 0.0 111.795 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.99 62.73 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 122.035 -0.416 . . . . 0.0 110.325 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.83 -52.86 63.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.145 0.978 . . . . 0.0 113.508 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2102 ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -58.37 -42.31 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.932 0.787 . . . . 0.0 110.745 -179.163 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -66.16 -26.07 67.25 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.021 -1.049 . . . . 0.0 113.259 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.71 -43.54 62.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.931 1.241 . . . . 0.0 109.569 171.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -45.05 89.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.164 1.786 . . . . 0.0 112.717 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 1.8 t -61.76 -38.33 87.6 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.316 1.447 . . . . 0.0 113.05 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.28 -11.91 17.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.361 1.064 . . . . 0.0 113.204 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 128.251 2.621 . . . . 0.0 112.068 179.773 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.832 0.348 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.54 -36.3 10.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -64.06 -23.69 67.42 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.434 1.094 . . . . 0.0 113.903 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -90.83 -28.32 18.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.193 0.997 . . . . 0.0 111.281 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.52 -32.94 69.31 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.425 -0.797 . . . . 0.0 111.595 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -64.44 -32.14 73.64 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.853 0.751 . . . . 0.0 112.302 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -84.4 -30.33 25.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.887 1.675 . . . . 0.0 113.587 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -177.265 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -155.16 147.05 23.43 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.266 1.426 . . . . 0.0 111.376 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.7 163.35 19.26 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.359 1.064 . . . . 0.0 112.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.3 m -131.0 155.93 80.86 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 126.594 1.958 . . . . 0.0 110.138 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.28 -25.21 79.61 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.722 2.282 . . . . 0.0 113.808 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.92 -35.01 74.0 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.041 0.936 . . . . 0.0 112.555 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.61 -28.88 64.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.099 0.96 . . . . 0.0 111.639 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 21.8 mt -82.55 -42.13 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.198 1.399 . . . . 0.0 111.364 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.08 -2.83 13.97 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.263 -1.523 . . . . 0.0 113.587 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -44.35 20.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.951 1.3 . . . . 0.0 113.897 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -18.34 55.14 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -9.2 50.92 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.481 1.109 0 C-N-CA 125.184 1.394 . . . . 0.0 114.699 -178.815 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 3.9 pt . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -125.21 142.68 42.12 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.67 -18.68 37.3 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.656 2.904 . . . . 0.0 113.013 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 18.1 p -54.27 -35.53 62.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.426 1.09 . . . . 0.0 112.134 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.88 62.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.286 1.435 . . . . 0.0 113.233 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.6 mp -68.43 -43.32 77.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.018 0.927 . . . . 0.0 110.408 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -68.45 -42.5 78.74 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.947 -0.47 . . . . 0.0 110.841 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -63.64 -35.86 81.92 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.771 -0.581 . . . . 0.0 111.965 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.84 -49.9 68.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.199 -0.938 . . . . 0.0 109.322 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.79 -39.33 88.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.483 -0.77 . . . . 0.0 112.838 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -67.39 -31.65 72.01 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.221 1.373 . . . . 0.0 111.658 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.3 m -72.0 -38.3 69.68 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.884 1.274 . . . . 0.0 111.514 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.08 -36.39 70.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.342 1.457 . . . . 0.0 111.334 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.49 -26.51 65.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.2 m -64.81 154.9 84.53 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.189 0.996 . . . . 0.0 113.165 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -72.55 169.0 22.88 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.817 2.345 . . . . 0.0 111.027 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.7 m -62.99 97.26 0.1 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.862 1.265 . . . . 0.0 110.843 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 46.4 p -148.52 159.18 39.3 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -67.79 -18.92 47.53 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.366 2.044 . . . . 0.0 111.631 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -68.27 -40.13 81.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.294 -0.879 . . . . 0.0 110.048 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -63.94 -42.75 97.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.524 0.73 . . . . 0.0 110.52 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -56.59 -49.21 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.843 0.857 . . . . 0.0 110.404 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.81 -41.97 92.46 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.16 0.436 . . . . 0.0 111.509 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -63.04 -44.33 96.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.21 0.913 . . . . 0.0 112.385 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.9 t -58.33 -45.89 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.626 0.648 . . . . 0.0 109.843 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.24 -41.76 98.71 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.635 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -57.29 -46.98 82.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.515 1.507 . . . . 0.0 111.466 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.0 -49.11 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.927 1.291 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.79 -39.43 80.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.819 0.847 . . . . 0.0 113.176 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -67.78 -16.68 64.24 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.773 1.17 . . . . 0.0 112.696 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 51.3 m -88.93 -8.89 53.33 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.715 1.206 . . . . 0.0 111.812 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -140.81 53.79 4.12 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 127.389 2.275 . . . . 0.0 110.057 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.84 -20.38 66.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.946 2.43 . . . . 0.0 115.121 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -55.02 -46.65 75.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.204 1.402 . . . . 0.0 111.546 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.58 -28.52 28.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.72 0.808 . . . . 0.0 112.777 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 47.6 ttp -69.72 -48.55 59.09 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.96 0.8 . . . . 0.0 112.535 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.27 70.63 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.934 -0.479 . . . . 0.0 111.311 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.15 -53.08 13.77 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.98 1.312 . . . . 0.0 112.818 178.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -47.24 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.834 0.854 . . . . 0.0 112.316 -176.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 24.8 mttt -62.52 -18.21 61.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.03 -41.29 7.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 110.742 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.96 -38.62 86.56 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.148 1.779 . . . . 0.0 112.62 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 11.8 t -54.18 -29.19 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.108 0.963 . . . . 0.0 113.121 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.46 58.03 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.7 mmmt . . . . . 0 N--CA 1.478 0.95 0 C-N-CA 126.789 2.036 . . . . 0.0 113.486 178.183 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -46.02 -33.01 3.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.244 1.417 . . . . 0.0 113.608 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.0 t -56.78 -33.01 66.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.259 1.424 . . . . 0.0 113.448 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.43 -25.78 51.01 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.145 0.978 . . . . 0.0 113.341 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.4 -37.54 87.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.058 0.543 . . . . 0.0 110.684 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -59.26 -27.78 66.12 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -74.99 -23.06 58.2 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.663 1.185 . . . . 0.0 112.207 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -174.724 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -157.73 155.84 30.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.712 1.605 . . . . 0.0 110.957 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 146.71 9.1 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.464 1.506 . . . . 0.0 113.565 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -150.82 169.44 9.26 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 127.401 2.281 . . . . 0.0 111.097 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.24 -28.18 51.03 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.934 2.423 . . . . 0.0 114.216 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.11 -35.49 71.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.051 1.34 . . . . 0.0 112.954 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.38 -30.0 66.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.978 0.911 . . . . 0.0 111.876 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 mt -81.76 -46.29 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.171 1.388 . . . . 0.0 111.722 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.56 -2.67 17.78 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -81.26 -60.06 2.42 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.11 1.364 . . . . 0.0 111.91 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -22.43 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -174.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -10.58 59.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.281 -0.887 . . . . 0.0 113.288 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.886 0 C-N-CA 125.172 1.389 . . . . 0.0 113.978 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -128.67 136.19 28.75 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.031 0.932 . . . . 0.0 111.899 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.42 -22.17 39.55 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.939 2.426 . . . . 0.0 113.607 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.7 p -56.8 -33.88 67.13 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.366 0.985 . . . . 0.0 112.682 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.08 -31.6 69.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.962 1.305 . . . . 0.0 113.01 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.78 -42.09 77.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.863 0.865 . . . . 0.0 109.657 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -37.62 88.08 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.426 -0.797 . . . . 0.0 110.845 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -65.69 -36.13 82.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.6 -0.688 . . . . 0.0 112.102 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.55 -45.11 95.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.291 -0.881 . . . . 0.0 109.651 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.2 -44.56 95.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.772 -0.632 . . . . 0.0 112.319 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -63.13 -35.08 79.1 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.821 1.191 . . . . 0.0 111.645 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.2 m -66.56 -46.16 76.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.429 1.091 . . . . 0.0 110.528 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.93 -39.85 93.48 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -70.28 -16.2 62.99 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.0 m -82.98 157.71 65.86 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.611 1.164 . . . . 0.0 110.167 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.0 145.91 80.93 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.591 2.194 . . . . 0.0 113.698 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 52.8 m -64.0 132.68 51.35 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.596 . . . . 0.0 113.993 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 86.4 p -168.37 162.69 8.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 126.206 1.802 . . . . 0.0 110.856 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.12 -34.26 77.59 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.644 2.229 . . . . 0.0 111.725 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -67.96 -37.68 81.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.73 1.212 . . . . 0.0 111.291 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -66.67 -42.95 85.76 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.338 -0.851 . . . . 0.0 111.053 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.13 -46.58 87.99 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.824 0.85 . . . . 0.0 109.72 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.66 -37.03 77.63 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.131 0.972 . . . . 0.0 112.199 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -62.1 -43.21 99.34 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.245 1.384 . . . . 0.0 112.31 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 75.2 t -62.27 -42.59 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.474 1.034 . . . . 0.0 110.035 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.97 -39.28 88.96 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -62.17 -46.37 89.27 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.941 1.246 . . . . 0.0 111.183 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 65.1 mt -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.261 1.425 . . . . 0.0 110.341 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.48 -42.18 87.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.716 1.207 . . . . 0.0 112.0 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -63.42 -20.06 65.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.502 1.121 . . . . 0.0 112.998 176.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 46.5 m -87.06 -7.89 57.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.722 1.209 . . . . 0.0 112.174 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -141.17 57.37 7.54 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 128.036 2.534 . . . . 0.0 109.198 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.39 -21.9 69.32 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.187 2.591 . . . . 0.0 116.188 -171.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.55 -49.2 73.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.17 0.988 . . . . 0.0 112.096 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.72 -27.21 50.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 31.8 ttp -74.48 -49.35 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.609 0.763 . . . . 0.0 112.61 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.61 80.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.59 0.756 . . . . 0.0 112.006 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.72 87.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.5 0.72 . . . . 0.0 112.041 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 54.9 t80 -73.24 -52.7 13.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.715 0.806 . . . . 0.0 112.814 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -37.17 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.442 -0.786 . . . . 0.0 112.485 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -57.03 -23.59 47.52 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -98.64 -34.91 10.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.185 0.902 . . . . 0.0 111.942 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -63.16 -35.43 80.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.592 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 12.9 t -54.91 -34.11 62.8 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.039 0.836 . . . . 0.0 112.977 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -70.75 -9.89 58.29 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.701 1.201 . . . . 0.0 114.23 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 126.648 1.979 . . . . 0.0 113.025 179.769 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -44.58 -36.22 2.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.725 1.61 . . . . 0.0 114.164 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -59.55 -27.8 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.056 1.342 . . . . 0.0 113.78 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.29 -21.0 24.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.237 1.015 . . . . 0.0 112.189 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 mt -65.84 -33.58 76.19 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.285 -0.885 . . . . 0.0 110.305 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -58.67 -31.43 68.18 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -80.61 -13.77 58.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.686 1.594 . . . . 0.0 113.5 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.474 0.759 0 C-N-CA 125.253 1.421 . . . . 0.0 112.188 178.748 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.53 143.06 21.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.624 1.57 . . . . 0.0 110.14 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.64 154.28 21.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.635 1.174 . . . . 0.0 113.802 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -115.02 165.23 14.53 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 127.33 2.252 . . . . 0.0 111.775 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -58.75 -25.47 76.03 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.201 1.934 . . . . 0.0 113.453 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.33 -30.35 66.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 0.0 112.384 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.59 -28.03 56.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.609 1.564 . . . . 0.0 112.079 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 19.3 mt -79.87 -42.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 110.367 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.3 -1.3 14.84 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.254 -0.904 . . . . 0.0 113.316 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.17 -57.4 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 113.268 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -18.41 59.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -13.25 45.81 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -174.307 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 73.0 m -143.96 148.24 41.32 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 123.901 0.88 . . . . 0.0 112.212 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.84 -24.31 54.14 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.173 2.582 . . . . 0.0 113.115 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 22.2 p -60.58 -35.17 75.44 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.64 1.576 . . . . 0.0 113.169 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.673 0.789 . . . . 0.0 111.935 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.28 -31.27 65.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.524 0.73 . . . . 0.0 111.6 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.01 -40.37 65.24 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.397 -0.815 . . . . 0.0 110.207 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -66.29 -36.06 82.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 111.433 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.61 -50.26 73.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.104 0.962 . . . . 0.0 109.231 173.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.0 -46.4 89.39 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -61.84 -39.85 93.26 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.47 1.032 . . . . 0.0 111.434 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 54.0 m -67.19 -44.48 79.55 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 110.926 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.16 -40.69 90.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.584 1.154 . . . . 0.0 112.176 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -65.75 -31.48 72.49 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 60.4 m -64.26 158.45 64.75 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.297 1.039 . . . . 0.0 112.173 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -62.69 145.18 95.0 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.544 2.163 . . . . 0.0 111.997 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.7 t -65.92 134.52 53.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.393 1.077 . . . . 0.0 113.86 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.1 p -164.9 159.44 14.91 Favored Pre-proline 0 C--O 1.239 0.551 0 C-N-CA 126.781 2.033 . . . . 0.0 109.855 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -53.86 -35.59 80.16 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.465 2.11 . . . . 0.0 111.754 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -66.45 -40.62 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.057 1.343 . . . . 0.0 111.66 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -47.12 83.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.421 0.689 . . . . 0.0 110.963 176.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.61 -47.06 87.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.567 0.747 . . . . 0.0 110.367 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -57.66 -38.9 75.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.869 0.867 . . . . 0.0 112.293 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -62.54 -40.72 97.69 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.745 1.157 . . . . 0.0 112.374 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 47.4 t -65.61 -40.19 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.84 1.2 . . . . 0.0 110.164 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.95 -42.46 94.09 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.781 0.719 . . . . 0.0 110.645 174.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -61.44 -49.74 75.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.927 0.891 . . . . 0.0 110.867 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.25 -47.5 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.371 1.468 . . . . 0.0 111.047 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.2 -46.66 69.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.889 0.876 . . . . 0.0 112.823 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -64.24 -22.6 67.01 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 119.417 1.008 . . . . 0.0 113.05 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 15.5 t -79.29 -13.76 59.45 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 112.415 174.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -132.53 61.64 58.19 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 127.037 2.135 . . . . 0.0 109.343 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.59 -27.26 61.37 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.18 2.586 . . . . 0.0 116.093 -171.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -52.3 -49.78 63.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.106 . . . . 0.0 113.241 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.63 -32.49 31.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 19.3 tmm? -72.44 -46.63 54.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.02 0.827 . . . . 0.0 112.2 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.3 82.68 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.72 95.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.093 0.557 . . . . 0.0 111.395 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.06 -52.84 30.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.631 1.172 . . . . 0.0 112.806 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -41.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.92 -19.33 51.13 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -98.94 -49.51 4.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.584 1.154 . . . . 0.0 110.007 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.4 -35.49 67.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.585 1.154 . . . . 0.0 113.496 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.3 t -52.22 -31.82 33.82 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.186 1.394 . . . . 0.0 113.431 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.33 52.42 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.905 1.282 . . . . 0.0 114.19 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 42.9 tptt . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 126.282 1.833 . . . . 0.0 113.941 -177.394 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.76 -40.84 73.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.287 2.635 . . . . 0.0 114.111 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -66.47 -30.75 71.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.245 1.018 . . . . 0.0 110.837 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.96 -21.62 54.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.277 1.031 . . . . 0.0 112.942 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.9 mt -68.21 -32.27 72.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.538 1.063 . . . . 0.0 111.678 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -61.14 -36.16 79.02 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.97 0.805 . . . . 0.0 111.61 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -70.47 -25.16 63.04 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.576 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.93 134.9 9.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.25 1.42 . . . . 0.0 108.951 175.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.58 133.41 52.25 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -101.99 163.92 16.82 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 126.968 2.107 . . . . 0.0 111.582 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -61.82 -27.36 80.37 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.799 1.666 . . . . 0.0 112.197 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.32 -38.32 88.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 112.435 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.85 -31.73 61.72 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.451 -0.78 . . . . 0.0 112.112 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 28.8 mt -74.94 -37.52 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 123.899 0.88 . . . . 0.0 110.536 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.05 -4.42 41.23 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.036 -1.665 . . . . 0.0 112.853 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -50.53 9.59 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.99 -1.069 . . . . 0.0 113.448 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -25.84 67.71 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -173.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -10.29 44.26 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 33.8 pt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -130.35 132.42 24.02 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.061 0.944 . . . . 0.0 111.551 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.27 -21.15 42.03 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.061 2.507 . . . . 0.0 113.505 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 25.0 p -63.2 -31.97 73.25 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.676 1.19 . . . . 0.0 112.41 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.21 76.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.95 0.9 . . . . 0.0 111.869 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.29 -36.99 80.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.471 0.708 . . . . 0.0 111.217 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -66.58 -40.14 88.8 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.725 -0.61 . . . . 0.0 110.509 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -38.62 91.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.501 0.721 . . . . 0.0 111.169 174.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.65 -44.36 96.47 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.404 -0.81 . . . . 0.0 109.903 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.52 -43.91 97.65 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.233 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -65.21 -33.4 75.9 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.331 1.423 . . . . 0.0 111.735 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 90.6 m -65.14 -44.33 88.99 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 110.436 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.13 -44.18 92.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.302 1.441 . . . . 0.0 112.143 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.34 -26.58 65.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.455 1.102 . . . . 0.0 113.784 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.0 m -75.37 158.08 84.01 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.986 1.315 . . . . 0.0 111.667 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.13 147.94 84.61 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.919 2.413 . . . . 0.0 113.038 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 13.2 t -70.43 142.72 51.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.662 1.185 . . . . 0.0 113.919 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -170.96 163.32 5.38 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 127.605 2.362 . . . . 0.0 109.769 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -53.63 -35.32 77.13 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.347 2.031 . . . . 0.0 111.643 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.73 -43.06 85.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.125 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -63.94 -42.61 97.27 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -62.74 -43.56 98.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.827 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.52 -38.47 84.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.731 0.813 . . . . 0.0 111.752 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.51 -39.39 83.67 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.274 0.943 . . . . 0.0 113.007 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.15 -49.82 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 118.869 0.758 . . . . 0.0 110.054 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.51 -40.23 96.52 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.309 1.043 . . . . 0.0 110.963 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.55 -49.79 76.41 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.802 1.183 . . . . 0.0 111.264 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.04 -47.95 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.981 1.312 . . . . 0.0 110.856 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.0 -41.3 82.46 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.673 0.789 . . . . 0.0 112.972 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -64.93 -20.64 66.56 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.698 1.135 . . . . 0.0 112.734 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 7.7 t -85.01 -12.0 54.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.027 1.331 . . . . 0.0 111.875 174.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -134.97 57.96 24.72 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 127.352 2.261 . . . . 0.0 109.707 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.25 -22.88 74.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.926 2.417 . . . . 0.0 114.819 -173.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.22 -51.49 67.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.021 0.928 . . . . 0.0 111.462 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.91 -35.09 62.24 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 36.2 ttp -68.47 -46.88 68.56 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.856 0.753 . . . . 0.0 111.921 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.84 95.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.516 0.726 . . . . 0.0 111.535 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.91 93.17 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.894 -0.504 . . . . 0.0 111.268 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 7.6 t80 -65.78 -53.29 42.38 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.598 0.759 . . . . 0.0 112.025 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -42.29 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.705 1.138 . . . . 0.0 112.931 -176.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -62.19 -17.68 58.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -98.6 -45.99 5.88 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.287 1.435 . . . . 0.0 109.686 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -57.41 -45.6 84.4 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.036 1.735 . . . . 0.0 112.661 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 4.9 t -54.08 -25.43 21.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.345 1.458 . . . . 0.0 114.502 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.85 60.85 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.244 1.018 . . . . 0.0 113.707 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 56.5 tptt . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 126.842 2.057 . . . . 0.0 113.862 -179.226 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -25.04 61.22 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.0 t -54.63 -36.54 64.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.266 1.026 . . . . 0.0 112.662 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.16 -21.31 62.19 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.149 0.98 . . . . 0.0 113.38 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.97 -34.17 71.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.908 -1.12 . . . . 0.0 110.082 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -67.3 -44.25 79.68 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.265 0.626 . . . . 0.0 112.242 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -63.87 -18.31 64.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 125.289 1.436 . . . . 0.0 113.693 179.267 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 121.243 0.544 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.49 143.86 24.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.651 1.58 . . . . 0.0 109.479 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.79 157.95 6.88 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -134.31 159.48 72.15 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 128.74 2.816 . . . . 0.0 108.984 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -57.5 -26.46 71.79 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.567 2.178 . . . . 0.0 114.067 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.71 -35.08 68.1 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.888 1.275 . . . . 0.0 113.509 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -74.76 -28.46 60.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.257 1.023 . . . . 0.0 112.622 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.6 mt -85.71 -39.13 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 125.296 1.438 . . . . 0.0 111.445 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.0 1.48 7.21 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.103 -0.998 . . . . 0.0 113.111 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -82.79 -60.41 2.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.116 1.366 . . . . 0.0 112.805 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -17.31 64.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -9.7 46.65 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.0 pt . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.319 0.118 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 71.2 m -138.12 137.98 22.18 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 124.299 1.04 . . . . 0.0 111.547 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.11 -22.61 40.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.11 2.54 . . . . 0.0 113.033 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.9 p -56.11 -32.46 64.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.301 1.04 . . . . 0.0 112.896 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.34 -33.36 72.29 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.839 1.256 . . . . 0.0 112.915 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.38 -45.17 80.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.364 1.066 . . . . 0.0 110.033 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -66.63 -41.49 88.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.102 0.561 . . . . 0.0 111.443 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.1 t0 -66.08 -38.36 88.08 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.629 -0.669 . . . . 0.0 111.885 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.57 -36.78 73.81 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.65 -1.281 . . . . 0.0 110.775 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.66 -48.78 79.27 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.07 0.85 . . . . 0.0 110.723 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -63.49 -33.65 76.05 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.185 0.902 . . . . 0.0 112.337 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 87.1 m -66.67 -46.93 74.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.303 1.041 . . . . 0.0 110.647 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.66 -39.86 89.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.501 1.12 . . . . 0.0 111.552 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -73.66 12.7 0.59 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.845 1.658 . . . . 0.0 115.456 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 33.3 m -123.9 157.64 62.64 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 125.972 1.709 . . . . 0.0 110.862 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -63.12 150.86 87.43 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.999 2.466 . . . . 0.0 113.677 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 17.7 t -64.33 129.3 39.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.362 1.065 . . . . 0.0 112.25 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -161.96 160.94 21.99 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.923 1.689 . . . . 0.0 110.573 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.54 -35.33 76.27 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.626 2.217 . . . . 0.0 111.727 173.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.4 -43.29 86.22 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 111.182 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.14 -48.98 77.71 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.543 0.737 . . . . 0.0 110.643 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.29 -45.29 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 111.204 176.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -62.44 -40.29 96.1 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 0.0 111.641 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -58.49 -45.43 88.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.955 0.798 . . . . 0.0 111.689 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 86.3 t -55.81 -51.92 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.49 -42.61 99.62 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.431 0.693 . . . . 0.0 111.363 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -58.35 -48.13 81.55 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 111.636 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.1 mt -63.71 -48.66 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.133 0.973 . . . . 0.0 111.422 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.98 -43.29 93.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.263 0.625 . . . . 0.0 111.896 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -67.77 -18.47 64.88 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.296 1.039 . . . . 0.0 112.877 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.0 m -82.88 -4.47 58.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.331 1.052 . . . . 0.0 112.003 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -139.3 56.17 8.36 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 126.571 1.948 . . . . 0.0 110.933 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.22 -37.33 39.26 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.936 3.091 . . . . 0.0 115.901 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -51.35 -50.41 59.55 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.51 1.524 . . . . 0.0 113.25 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.74 -27.26 29.05 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -47.2 16.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.994 1.318 . . . . 0.0 111.906 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2099 ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -63.58 -33.03 74.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.119 0.968 . . . . 0.0 112.426 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.47 83.16 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.128 0.571 . . . . 0.0 111.95 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.59 -53.01 8.63 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 113.322 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2102 ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' 2102 ' ' ILE . 0.2 OUTLIER -56.45 -43.01 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.239 0.616 . . . . 0.0 112.546 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -61.4 -15.1 33.4 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -97.78 -44.8 6.58 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.9 0.88 . . . . 0.0 109.763 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -59.55 -34.28 72.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.44 1.096 . . . . 0.0 113.102 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 8.9 t -56.62 -28.34 60.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.142 0.977 . . . . 0.0 113.364 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.77 -17.23 64.0 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.018 -1.051 . . . . 0.0 113.636 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 127.0 2.12 . . . . 0.0 111.971 -179.097 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.5 p . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -46.75 -27.36 1.17 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.315 1.846 . . . . 0.0 115.656 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -57.73 -32.56 67.55 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.554 0.742 . . . . 0.0 112.615 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -82.68 -24.53 33.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.337 1.055 . . . . 0.0 113.246 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.2 -36.22 82.91 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.33 -0.856 . . . . 0.0 110.35 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -63.72 -31.91 73.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.826 -0.546 . . . . 0.0 112.222 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.26 -35.66 41.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.351 1.46 . . . . 0.0 112.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.0 mt . . . . . 0 N--CA 1.469 0.525 0 C-N-CA 123.881 0.872 . . . . 0.0 112.742 177.199 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.3 tpp -149.49 164.26 35.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.188 1.395 . . . . 0.0 111.268 -177.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.93 144.02 9.29 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.726 1.211 . . . . 0.0 111.874 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.2 p -118.63 159.37 44.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 112.973 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.24 -24.9 76.43 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.417 2.078 . . . . 0.0 113.101 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.52 -32.0 73.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.526 1.13 . . . . 0.0 111.919 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.18 -28.49 63.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.436 1.095 . . . . 0.0 111.684 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -77.96 -46.37 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.271 1.028 . . . . 0.0 111.316 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.67 -3.63 12.72 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.75 -59.85 2.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.711 1.604 . . . . 0.0 112.827 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -26.7 65.32 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -172.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.84 -10.07 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -176.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.5 pt . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.3 m -128.24 138.46 33.05 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.146 0.978 . . . . 0.0 111.329 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 -24.66 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.139 2.559 . . . . 0.0 113.925 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 26.9 p -63.03 -34.04 76.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.913 1.285 . . . . 0.0 113.426 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.52 80.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.532 0.733 . . . . 0.0 111.537 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.5 -33.18 70.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.737 0.815 . . . . 0.0 111.811 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -69.35 -40.56 77.44 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.394 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.71 -35.42 80.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 111.188 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.29 -50.5 73.4 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.409 1.083 . . . . 0.0 109.532 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -46.86 82.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 113.048 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -66.08 -30.33 70.82 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.385 0.993 . . . . 0.0 112.521 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 58.2 m -70.31 -44.39 68.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.913 0.885 . . . . 0.0 110.376 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.45 -37.47 86.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.395 1.878 . . . . 0.0 113.367 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -62.87 -24.17 67.68 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.6 m -80.44 156.48 73.48 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.3 1.04 . . . . 0.0 111.021 175.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.37 147.44 94.92 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.843 2.362 . . . . 0.0 112.819 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.2 t -72.65 145.33 47.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 93.6 p -170.61 161.15 6.02 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 128.426 2.69 . . . . 0.0 108.888 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.68 -33.53 80.26 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.209 1.94 . . . . 0.0 111.805 174.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.35 -42.52 83.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.856 1.262 . . . . 0.0 111.191 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.63 -43.22 94.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.523 0.729 . . . . 0.0 110.551 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -61.58 -41.64 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.032 0.933 . . . . 0.0 111.43 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -56.0 -37.91 69.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.389 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -64.58 -43.63 93.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.663 1.12 . . . . 0.0 111.659 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 46.2 t -62.39 -43.57 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.234 0.925 . . . . 0.0 110.346 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.52 -41.25 94.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.778 0.831 . . . . 0.0 110.927 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.3 -45.89 89.27 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.155 0.889 . . . . 0.0 111.139 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -45.91 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.1 1.36 . . . . 0.0 110.448 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.62 -43.31 80.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.986 0.914 . . . . 0.0 111.894 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -65.37 -16.79 63.96 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.904 1.229 . . . . 0.0 113.41 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.2 m -87.35 -8.66 56.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.844 1.258 . . . . 0.0 111.987 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.84 54.67 5.79 Favored Pre-proline 0 CA--C 1.558 1.252 0 C-N-CA 128.117 2.567 . . . . 0.0 109.602 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.94 -23.14 71.69 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.213 2.608 . . . . 0.0 115.836 -172.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -48.74 -47.07 41.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.8 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.8 -31.34 25.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 11.1 ptm -78.9 -37.36 40.18 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.617 1.099 . . . . 0.0 112.949 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.25 84.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.823 0.738 . . . . 0.0 112.343 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.0 90.63 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 122.024 -0.423 . . . . 0.0 110.94 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.3 t80 -68.63 -51.47 41.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.876 1.27 . . . . 0.0 113.498 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -37.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-N 119.595 1.089 . . . . 0.0 112.757 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.49 -24.93 34.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.703 1.201 . . . . 0.0 113.218 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -98.9 -46.04 5.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.035 1.334 . . . . 0.0 111.109 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -32.96 64.87 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.674 1.189 . . . . 0.0 112.565 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.4 t -51.98 -29.77 22.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.316 1.046 . . . . 0.0 112.968 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.66 63.9 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.961 1.304 . . . . 0.0 113.862 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 127.325 2.25 . . . . 0.0 113.425 178.486 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.286 0.089 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -45.58 -35.67 4.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.271 1.428 . . . . 0.0 114.696 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -62.06 -29.95 70.65 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.304 1.042 . . . . 0.0 113.267 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -83.31 -25.58 31.38 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.977 -1.077 . . . . 0.0 112.222 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.81 -28.38 68.96 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.393 -0.817 . . . . 0.0 111.453 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -67.29 -41.43 85.43 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.621 0.646 . . . . 0.0 110.297 171.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -67.61 -28.61 67.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.169 1.787 . . . . 0.0 113.584 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 mt . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 123.834 0.854 . . . . 0.0 112.343 175.18 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.0 tpp -151.26 154.41 36.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.832 1.253 . . . . 0.0 112.322 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.84 152.26 7.52 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -128.47 168.9 14.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 127.418 2.287 . . . . 0.0 111.277 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -58.05 -27.73 80.68 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.321 2.014 . . . . 0.0 112.459 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.13 -34.0 69.78 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.734 1.613 . . . . 0.0 112.732 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.15 -38.97 66.04 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.389 1.076 . . . . 0.0 111.367 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.69 -42.74 62.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.727 1.211 . . . . 0.0 111.24 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.51 -7.93 52.51 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.972 -1.08 . . . . 0.0 113.499 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -53.32 5.91 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.612 1.165 . . . . 0.0 113.493 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -22.01 65.61 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.37 48.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -176.663 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 49.2 pt . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.4 m -127.73 139.52 35.53 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 124.101 0.961 . . . . 0.0 111.773 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.21 -24.33 44.24 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.047 2.498 . . . . 0.0 113.071 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.9 p -55.81 -35.36 66.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 0.0 112.638 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.67 69.09 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.344 1.057 . . . . 0.0 113.055 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.44 -41.64 76.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.819 0.847 . . . . 0.0 110.016 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -68.68 -39.98 80.33 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.854 -0.529 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.563 -0.71 . . . . 0.0 112.173 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.94 -49.33 72.98 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.069 -1.019 . . . . 0.0 109.254 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.98 -45.83 91.43 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -61.97 -29.79 70.49 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.072 0.851 . . . . 0.0 112.021 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 60.3 m -78.65 -42.38 28.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.043 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 37.1 tp -57.68 -35.72 70.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.676 1.19 . . . . 0.0 111.718 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.82 -16.06 56.76 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.4 m -66.56 162.75 47.46 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.656 1.182 . . . . 0.0 111.885 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.31 161.34 43.53 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.296 1.997 . . . . 0.0 111.743 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 47.0 m -59.15 102.75 0.14 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.147 1.379 . . . . 0.0 110.874 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 82.2 p -159.27 156.98 26.92 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -174.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.24 -17.9 55.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.644 2.23 . . . . 0.0 112.489 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -64.5 -49.11 72.65 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.056 -1.027 . . . . 0.0 110.972 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.09 -35.72 80.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.804 0.729 . . . . 0.0 111.906 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -59.27 -50.5 73.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.033 1.333 . . . . 0.0 109.855 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -65.4 -42.67 92.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.599 0.76 . . . . 0.0 111.871 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.28 -42.82 99.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.789 1.177 . . . . 0.0 113.27 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 55.6 t -61.73 -42.07 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.113 1.324 . . . . 0.0 110.022 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.19 -38.99 91.21 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.584 0.629 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.88 -45.9 90.37 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.0 0.818 . . . . 0.0 110.885 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.74 -43.22 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 110.62 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.83 -32.39 70.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.019 0.928 . . . . 0.0 112.794 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -61.92 -24.37 66.93 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.729 1.149 . . . . 0.0 112.542 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 71.2 m -85.79 -3.81 59.0 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.503 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -138.55 54.8 7.27 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.069 2.148 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.46 -32.6 74.09 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.092 2.528 . . . . 0.0 116.315 -175.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -48.98 -49.12 42.17 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.649 1.579 . . . . 0.0 113.629 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.54 -31.21 26.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.85 -46.23 63.05 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.419 0.687 . . . . 0.0 111.678 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.85 98.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.145 0.978 . . . . 0.0 112.934 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.58 91.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.027 0.531 . . . . 0.0 111.441 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.2 t80 -69.64 -52.79 22.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.809 1.244 . . . . 0.0 112.822 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -35.03 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 118.769 0.713 . . . . 0.0 112.255 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.11 -30.33 59.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.06 0.846 . . . . 0.0 112.935 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -87.75 -42.11 12.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.509 0.724 . . . . 0.0 110.859 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -64.33 -33.1 75.06 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.3 t -59.03 -31.68 69.05 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 119.096 0.862 . . . . 0.0 112.668 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.43 -9.91 38.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.378 1.071 . . . . 0.0 113.641 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 N--CA 1.477 0.877 0 C-N-CA 127.521 2.328 . . . . 0.0 112.378 179.563 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 121.322 0.582 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -37.25 -44.39 0.58 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.164 2.186 . . . . 0.0 116.061 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t -56.61 -34.7 67.5 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.272 1.029 . . . . 0.0 113.539 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.96 -25.12 18.15 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 112.112 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -35.08 79.09 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.68 0.673 . . . . 0.0 110.499 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -58.08 -29.52 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.214 0.915 . . . . 0.0 112.851 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -81.66 -18.8 43.31 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.37 1.468 . . . . 0.0 114.337 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.077 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -150.12 142.01 23.82 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.816 0.846 . . . . 0.0 112.449 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.04 159.37 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.521 0.728 . . . . 0.0 111.919 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -119.37 151.84 51.85 Favored Pre-proline 0 N--CA 1.47 0.555 0 C-N-CA 126.228 1.811 . . . . 0.0 110.565 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -54.05 -24.91 34.5 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.023 2.482 . . . . 0.0 113.547 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.56 -35.19 71.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 112.809 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -73.77 -33.6 64.33 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.119 0.968 . . . . 0.0 111.486 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.53 -40.67 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.957 1.303 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.13 -4.77 51.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.873 -1.142 . . . . 0.0 113.242 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -54.54 5.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.588 1.155 . . . . 0.0 112.236 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -19.68 66.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -9.66 47.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 4.6 m -155.2 148.76 18.64 Favored Pre-proline 0 N--CA 1.482 1.158 0 CA-C-N 119.726 1.148 . . . . 0.0 112.555 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.84 -21.34 33.28 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.518 2.812 . . . . 0.0 113.947 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 24.1 p -62.98 -34.48 77.62 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.124 -0.985 . . . . 0.0 112.481 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.17 72.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.07 0.948 . . . . 0.0 112.583 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.9 -41.51 87.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.287 1.035 . . . . 0.0 110.301 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.63 85.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.277 0.631 . . . . 0.0 111.08 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.3 t0 -66.82 -36.59 82.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.01 0.924 . . . . 0.0 110.835 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.29 -48.87 76.28 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.137 -0.977 . . . . 0.0 109.355 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.82 -44.63 82.23 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.644 -0.694 . . . . 0.0 112.253 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -63.87 -36.12 82.89 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.855 1.207 . . . . 0.0 111.94 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 56.7 m -70.4 -33.43 71.36 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.664 1.186 . . . . 0.0 111.707 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.19 -44.48 95.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 110.796 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.23 -24.76 67.78 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 152.11 67.21 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.28 153.31 66.62 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.799 2.333 . . . . 0.0 111.222 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 20.1 m -55.6 113.89 1.64 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.271 1.428 . . . . 0.0 112.726 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 97.6 p -160.84 158.33 24.31 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 124.758 1.223 . . . . 0.0 112.444 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.16 -24.42 65.97 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.051 1.834 . . . . 0.0 111.914 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.37 -39.22 92.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.794 0.837 . . . . 0.0 110.54 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.84 -46.59 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.797 -0.565 . . . . 0.0 109.894 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.65 -44.21 90.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.244 0.618 . . . . 0.0 111.101 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -63.34 -40.55 97.6 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.39 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -66.12 -39.9 90.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.95 1.25 . . . . 0.0 112.045 176.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 66.6 t -59.3 -47.12 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.111 0.868 . . . . 0.0 109.303 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.8 -48.38 81.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.319 0.648 . . . . 0.0 111.19 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.2 -48.27 79.21 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.551 1.069 . . . . 0.0 112.053 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.7 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.968 1.307 . . . . 0.0 110.875 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.86 -43.68 71.38 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -67.43 -17.05 64.56 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.78 1.232 . . . . 0.0 114.211 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 12.2 t -72.09 -26.27 62.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 111.631 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.75 68.65 8.35 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 127.623 2.369 . . . . 0.0 109.173 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.07 -8.02 21.52 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.489 2.792 . . . . 0.0 115.887 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.94 -58.64 4.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.129 1.771 . . . . 0.0 111.367 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.77 -29.65 70.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.77 1.628 . . . . 0.0 113.94 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 46.7 ttp -76.52 -46.17 27.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.553 -0.717 . . . . 0.0 111.202 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.9 78.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.445 1.098 . . . . 0.0 111.565 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.25 96.82 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.624 0.77 . . . . 0.0 111.554 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 33.5 t80 -70.84 -50.77 31.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 113.304 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -33.63 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.926 -1.109 . . . . 0.0 113.594 -176.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.54 -29.8 62.34 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -94.65 -31.59 13.77 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.632 0.651 . . . . 0.0 112.136 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -67.34 -37.55 83.43 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.131 0.972 . . . . 0.0 113.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.7 t -56.3 -34.86 66.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.38 1.072 . . . . 0.0 112.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.78 -16.95 62.51 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 113.674 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 126.441 1.896 . . . . 0.0 112.414 178.411 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.3 p . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 110.718 -0.105 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -30.87 -46.08 0.08 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.768 2.427 . . . . 0.0 116.944 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.4 p -59.4 -34.5 72.52 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.73 -22.38 24.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.887 0.875 . . . . 0.0 111.844 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 mt -61.81 -36.9 82.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.395 -0.815 . . . . 0.0 110.224 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -62.01 -27.06 68.6 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.82 -30.96 15.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.127 1.771 . . . . 0.0 112.749 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 125.044 1.338 . . . . 0.0 114.302 -179.466 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.7 tpp -151.4 159.76 44.08 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.65 1.58 . . . . 0.0 111.046 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 40.7 mt -72.03 162.02 30.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.246 1.018 . . . . 0.0 112.694 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -131.13 164.69 40.52 Favored Pre-proline 0 N--CA 1.472 0.65 0 C-N-CA 127.302 2.241 . . . . 0.0 110.298 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.94 -25.99 46.8 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.737 2.291 . . . . 0.0 113.966 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.27 -35.6 72.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.07 1.348 . . . . 0.0 112.549 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -73.52 -28.86 62.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.663 1.185 . . . . 0.0 111.775 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 7.5 mt -83.17 -41.43 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.666 1.187 . . . . 0.0 111.364 -178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.34 -3.0 34.46 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.071 -1.018 . . . . 0.0 112.893 177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.48 -59.35 2.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.759 1.624 . . . . 0.0 111.896 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -20.09 65.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -9.7 47.71 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.119 -0.988 . . . . 0.0 113.562 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo . . . . . 0 CA--C 1.54 0.799 0 N-CA-C 114.886 1.071 . . . . 0.0 114.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -72.57 -24.64 61.13 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -149.07 176.52 10.4 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.816 1.246 . . . . 0.0 113.827 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 37.0 m -77.54 172.86 12.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.351 1.461 . . . . 0.0 112.905 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.1 pt -135.45 175.35 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 127.442 2.297 . . . . 0.0 110.217 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.8 m -133.99 142.34 43.02 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 124.252 1.021 . . . . 0.0 112.093 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.6 -15.22 37.57 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.602 2.868 . . . . 0.0 113.63 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 23.4 p -61.25 -35.65 77.84 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.112 -0.992 . . . . 0.0 112.681 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.85 75.21 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.961 0.904 . . . . 0.0 112.4 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.62 -40.47 88.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 0.0 110.222 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -70.04 -37.54 75.6 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.815 -0.553 . . . . 0.0 110.954 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.02 -37.77 88.72 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.485 0.66 . . . . 0.0 110.814 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.99 -46.32 91.24 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.932 -1.105 . . . . 0.0 109.829 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.57 -44.79 96.38 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.88 0.764 . . . . 0.0 112.583 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -65.01 -33.82 76.97 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.466 1.03 . . . . 0.0 111.801 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 81.4 m -70.92 -43.01 69.15 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.732 1.213 . . . . 0.0 111.421 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.68 -41.64 81.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.307 1.443 . . . . 0.0 112.421 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -68.8 -13.5 62.44 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -67.4 156.34 88.72 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 119.361 0.982 . . . . 0.0 112.349 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.6 158.59 57.11 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.714 2.276 . . . . 0.0 111.826 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.8 m -55.87 117.79 4.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.409 1.484 . . . . 0.0 113.435 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.7 p -161.26 156.39 20.54 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 124.716 1.206 . . . . 0.0 112.319 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.49 -23.98 57.08 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.108 1.872 . . . . 0.0 112.094 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -65.05 -35.8 82.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.144 0.978 . . . . 0.0 111.145 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.6 -44.93 96.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.576 0.75 . . . . 0.0 110.837 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.51 -46.52 88.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.618 0.767 . . . . 0.0 110.679 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -60.13 -44.32 95.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.776 0.431 . . . . 0.0 111.589 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.65 -41.49 99.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.073 0.852 . . . . 0.0 112.813 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.9 t -60.25 -45.93 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.475 1.034 . . . . 0.0 110.02 175.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.61 -44.51 96.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.213 0.605 . . . . 0.0 111.465 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.03 -47.79 82.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.897 0.879 . . . . 0.0 111.378 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -47.47 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.828 1.251 . . . . 0.0 111.051 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.43 -43.2 91.2 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -58.55 -23.83 59.33 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 20.6 t -72.08 -20.96 61.57 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.99 . . . . 0.0 112.923 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.12 67.21 77.02 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 126.541 1.936 . . . . 0.0 112.591 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.42 -37.2 19.13 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 124.749 3.633 . . . . 0.0 116.036 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -44.26 -55.67 4.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.915 1.686 . . . . 0.0 113.929 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' 2098 ' ' MET . 3.2 pp -83.78 -34.19 24.83 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2098 ' ' MET . . . . . 0.404 ' N ' HD12 ' A' 2097 ' ' LEU . 5.5 ptm -71.94 -34.45 69.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.313 0.961 . . . . 0.0 113.239 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.64 79.04 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.449 0.7 . . . . 0.0 111.005 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.39 92.12 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.713 -0.617 . . . . 0.0 110.674 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.51 -53.05 58.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.522 1.129 . . . . 0.0 112.347 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2102 ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -60.93 -44.26 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.452 1.024 . . . . 0.0 110.748 178.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.52 -39.36 79.91 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.286 -0.884 . . . . 0.0 112.012 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -70.97 -40.35 71.98 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.41 -0.806 . . . . 0.0 111.704 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -69.8 -42.36 73.84 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.869 1.268 . . . . 0.0 114.304 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.8 t -57.98 -33.78 69.26 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.879 1.218 . . . . 0.0 112.852 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.75 -11.28 60.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.966 1.306 . . . . 0.0 114.342 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -133.76 9.13 3.89 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 127.17 2.188 . . . . 0.0 113.47 -176.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.04 140.77 58.88 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.315 1.846 . . . . 0.0 112.437 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 86.2 t -134.58 110.64 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.128 1.371 . . . . 0.0 109.188 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -94.46 8.72 41.11 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.93 -179.47 6.63 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -132.34 151.26 77.98 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 125.176 1.391 . . . . 0.0 112.433 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -74.23 175.87 10.36 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.077 3.184 . . . . 0.0 113.529 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -64.55 93.47 0.14 Allowed Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.708 1.623 . . . . 0.0 113.947 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.62 171.94 11.21 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.109 1.763 . . . . 0.0 112.21 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 125.006 1.323 . . . . 0.0 111.727 -177.601 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.54 0.8 0 N-CA-C 113.995 0.729 . . . . 0.0 113.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -144.25 -174.04 4.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.606 1.962 . . . . 0.0 111.177 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 94.3 p -134.76 166.24 23.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.495 1.118 . . . . 0.0 113.284 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.408 ' H ' ' CD ' ' B' ' 16' ' ' GLN . 0.3 OUTLIER -67.86 7.03 0.58 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.607 1.563 . . . . 0.0 113.04 173.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -102.16 -14.54 17.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.184 1.394 . . . . 0.0 112.04 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.2 p -80.04 167.14 20.81 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.397 1.479 . . . . 0.0 113.77 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -44.26 -37.87 3.49 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.942 1.697 . . . . 0.0 115.315 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -58.59 -26.96 64.19 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.17 -26.44 14.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.055 0.942 . . . . 0.0 111.244 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.81 -30.88 71.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.941 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -57.35 -38.99 75.02 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.858 1.208 . . . . 0.0 111.954 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.73 -30.49 71.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.08 1.352 . . . . 0.0 113.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.14 -14.96 60.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.529 1.132 . . . . 0.0 113.886 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.67 155.67 81.15 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 124.511 1.124 . . . . 0.0 112.648 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.68 43.65 0.68 Allowed 'Trans proline' 0 CA--C 1.546 1.105 1 C-N-CA 125.547 4.165 . . . . 0.0 115.141 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.55 -5.3 5.24 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 119.835 -1.79 . . . . 0.0 114.221 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -124.28 14.92 9.01 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.615 2.366 . . . . 0.0 113.315 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -142.28 178.79 7.33 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.643 1.177 . . . . 0.0 112.647 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.25 114.09 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 123.47 1.605 . . . . 0.0 107.443 173.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.4 mt -103.96 -67.92 0.87 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 111.57 -2.559 . . . . 0.0 111.16 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 5.2 m -62.96 150.28 88.41 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 126.86 2.064 . . . . 0.0 113.582 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -77.69 -0.81 10.99 Favored 'Trans proline' 0 CA--C 1.546 1.089 0 C-N-CA 123.823 3.015 . . . . 0.0 114.25 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.65 155.78 63.34 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 125.863 1.665 . . . . 0.0 112.353 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -77.91 -169.41 0.75 Allowed 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 124.305 3.337 . . . . 0.0 112.821 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 12.2 m -50.36 -17.53 0.48 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.183 2.193 . . . . 0.0 116.109 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -64.91 -1.78 2.21 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.064 1.746 . . . . 0.0 114.434 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.48 20.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.359 2.264 . . . . 0.0 115.355 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 7.4 mtt -70.38 9.56 0.59 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.97 -28.08 61.92 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.173 1.789 . . . . 0.0 114.385 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.16 17.86 2.26 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.838 1.255 . . . . 0.0 113.834 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -149.86 138.61 20.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.043 1.337 . . . . 0.0 111.908 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 133.22 19.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.6 1.56 . . . . 0.0 110.207 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 164.55 3.62 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 69.0 m -125.85 151.83 71.73 Favored Pre-proline 0 N--CA 1.473 0.68 0 C-N-CA 126.845 2.058 . . . . 0.0 110.792 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -61.98 -22.28 73.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.326 2.684 . . . . 0.0 115.019 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.55 -31.49 68.02 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.07 0.948 . . . . 0.0 112.924 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.26 -28.39 27.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 111.988 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.4 mt -73.21 -35.21 46.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 109.884 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.47 -1.31 26.57 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.25 -1.531 . . . . 0.0 113.431 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -46.52 13.05 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.883 -1.135 . . . . 0.0 113.527 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -22.71 61.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -16.81 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -60.89 -21.49 63.37 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.5 -7.63 48.73 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.12 1.368 . . . . 0.0 113.93 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.73 118.41 16.91 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 125.38 1.472 . . . . 0.0 112.917 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -77.73 58.32 6.38 Favored 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 124.787 3.658 . . . . 0.0 113.144 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.27 173.06 18.59 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.538 1.542 . . . . 0.0 114.066 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -81.98 -164.24 0.26 Allowed 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 124.77 3.647 . . . . 0.0 111.574 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 126.564 1.946 . . . . 0.0 111.951 -179.876 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 CA--C 1.54 0.815 0 N-CA-C 114.035 0.744 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -151.03 173.64 14.09 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.026 2.13 . . . . 0.0 109.924 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -75.6 55.89 0.86 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.913 1.685 . . . . 0.0 112.559 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 49.7 m -136.35 157.96 45.56 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.933 2.093 . . . . 0.0 111.503 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 31.5 pt -144.59 171.75 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.51 1.524 . . . . 0.0 111.745 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.8 m -125.03 140.08 35.09 Favored Pre-proline 0 N--CA 1.473 0.725 0 C-N-CA 125.541 1.536 . . . . 0.0 109.98 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.82 -22.1 49.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.409 2.739 . . . . 0.0 114.223 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 30.5 p -59.5 -35.64 74.52 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.65 86.58 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.68 0.792 . . . . 0.0 112.074 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.01 -47.18 72.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.279 1.032 . . . . 0.0 109.516 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -61.58 -39.46 91.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.071 -0.393 . . . . 0.0 111.575 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.86 -35.18 78.08 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.717 -0.614 . . . . 0.0 112.069 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.19 -49.09 71.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.99 -37.46 74.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.014 0.926 . . . . 0.0 113.404 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -74.69 -31.29 61.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.979 1.263 . . . . 0.0 112.196 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.5 m -73.09 -45.3 57.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.689 1.196 . . . . 0.0 111.674 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.34 -36.26 73.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.984 1.714 . . . . 0.0 114.397 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -67.72 -19.64 65.17 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 74.3 m -78.86 163.01 62.78 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 119.128 0.876 . . . . 0.0 112.108 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.09 146.12 18.19 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.1 3.2 . . . . 0.0 114.383 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.4 p -72.49 135.39 45.67 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 112.957 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 75.7 p -164.77 159.09 15.13 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.708 1.603 . . . . 0.0 110.754 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.25 -33.43 90.94 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.571 2.181 . . . . 0.0 111.732 174.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -68.08 -43.01 79.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.471 1.108 . . . . 0.0 111.369 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -67.29 -40.25 86.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.562 -0.711 . . . . 0.0 111.19 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -58.39 -48.72 79.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.714 1.206 . . . . 0.0 109.579 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.35 -38.76 88.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.66 0.784 . . . . 0.0 111.785 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.79 -44.77 96.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.795 1.18 . . . . 0.0 112.014 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 91.6 t -64.12 -41.1 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.861 0.755 . . . . 0.0 110.178 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.59 -37.86 82.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.968 0.804 . . . . 0.0 111.298 174.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -62.06 -46.32 89.65 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.979 1.263 . . . . 0.0 110.593 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.59 -45.62 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.16 1.384 . . . . 0.0 110.608 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.65 -44.05 78.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.497 1.119 . . . . 0.0 112.52 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.83 -22.42 66.91 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.493 1.042 . . . . 0.0 112.922 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 8.9 t -84.0 -14.46 50.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.031 1.332 . . . . 0.0 112.093 174.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -137.08 58.4 17.94 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 127.215 2.206 . . . . 0.0 109.595 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.07 -14.37 44.84 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.178 2.586 . . . . 0.0 117.004 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -56.16 -44.39 79.25 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.47 1.486 . . . . 0.0 112.753 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 1.5 pp -80.97 -27.26 36.06 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.3 ttp -80.04 -45.83 17.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.658 0.783 . . . . 0.0 112.239 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.71 88.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 111.471 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.28 91.09 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.922 -0.486 . . . . 0.0 111.047 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.7 -52.9 62.41 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.982 0.913 . . . . 0.0 111.432 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.4 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.272 0.942 . . . . 0.0 112.793 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -55.5 -27.8 50.74 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.729 1.149 . . . . 0.0 113.024 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.77 -46.6 6.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.421 1.088 . . . . 0.0 111.367 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.97 67.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.364 1.466 . . . . 0.0 114.125 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 13.1 t -59.9 -34.32 73.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.831 1.252 . . . . 0.0 112.203 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.07 -11.0 58.24 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.442 1.097 . . . . 0.0 113.772 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -126.27 14.78 7.78 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.176 2.191 . . . . 0.0 112.867 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.98 44.53 0.48 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.709 2.004 . . . . 0.0 113.52 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 14.5 p -133.23 110.51 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 128.101 2.56 . . . . 0.0 109.141 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -155.94 175.63 13.7 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.903 1.281 . . . . 0.0 112.453 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 9.5 p30 -136.88 148.23 46.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.125 1.77 . . . . 0.0 110.288 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -74.82 130.99 80.07 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 123.039 0.536 . . . . 0.0 111.183 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.71 169.71 21.71 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.663 2.909 . . . . 0.0 113.449 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -151.91 35.55 0.85 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.26 1.409 . . . . 0.0 113.642 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 95.4 mtp -66.82 165.51 15.09 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.157 1.383 . . . . 0.0 113.29 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 125.718 1.607 . . . . 0.0 111.122 178.921 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 CA--C 1.538 0.695 0 N-CA-C 113.894 0.69 . . . . 0.0 113.894 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -146.65 174.74 11.17 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.068 1.747 . . . . 0.0 111.814 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.9 p -138.49 94.22 2.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 123.497 1.618 . . . . 0.0 113.241 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -117.26 19.3 14.2 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.278 -1.783 . . . . 0.0 107.847 171.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . 0.31 8.6 tt0 49.04 40.97 18.42 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 130.436 3.495 . . . . 0.0 114.32 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.7 p -91.66 178.87 5.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 128.608 2.763 . . . . 0.0 111.851 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -44.85 -43.23 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.9 p -66.55 -32.84 74.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.178 0.991 . . . . 0.0 113.67 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -80.09 -26.78 39.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.232 1.413 . . . . 0.0 112.444 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.29 -33.9 77.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.188 0.595 . . . . 0.0 111.522 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -59.51 -33.99 72.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.792 0.723 . . . . 0.0 112.721 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -66.59 -35.62 80.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.515 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.3 mt -74.7 -29.39 61.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.35 1.06 . . . . 0.0 112.786 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.2 mt -74.89 156.34 86.36 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.1 1.36 . . . . 0.0 113.126 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.01 48.47 1.72 Allowed 'Trans proline' 0 CA--C 1.55 1.3 1 C-N-CA 125.473 4.115 . . . . 0.0 114.085 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -50.52 -27.71 7.15 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.73 2.012 . . . . 0.0 116.072 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -95.31 2.18 54.66 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.493 1.517 . . . . 0.0 113.848 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -122.2 17.91 10.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.297 1.439 . . . . 0.0 114.01 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.5 m -69.44 -12.84 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.205 1.402 . . . . 0.0 114.358 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.29 -4.63 0.23 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.65 2.38 . . . . 0.0 117.043 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.0 m -59.54 150.19 66.96 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 124.815 1.246 . . . . 0.0 111.894 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.76 -29.04 51.26 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.505 2.137 . . . . 0.0 113.547 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 91.5 mt -144.5 107.86 4.78 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 126.23 1.812 . . . . 0.0 109.902 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.34 -28.89 82.06 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.866 3.044 . . . . 0.0 114.955 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 35.9 t -154.6 169.89 22.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.982 2.113 . . . . 0.0 110.19 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -130.37 18.95 5.32 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.615 1.566 . . . . 0.0 113.574 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.56 -8.08 3.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 96.2 mmm -66.54 16.67 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.428 1.891 . . . . 0.0 115.956 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.71 -28.21 24.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.784 2.034 . . . . 0.0 113.226 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -125.46 6.64 7.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.527 1.531 . . . . 0.0 113.256 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.5 132.71 24.72 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.844 2.058 . . . . 0.0 109.244 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 32.3 tpp -146.42 149.03 32.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.728 1.211 . . . . 0.0 110.858 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.83 150.61 23.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.481 1.512 . . . . 0.0 113.311 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.2 m -125.93 167.37 17.05 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 127.266 2.226 . . . . 0.0 110.554 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -54.75 -26.68 48.5 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.251 1.967 . . . . 0.0 113.457 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.59 -34.93 69.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.325 1.45 . . . . 0.0 112.89 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -75.0 -28.68 60.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.573 1.149 . . . . 0.0 112.079 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.28 -45.31 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.32 1.448 . . . . 0.0 111.107 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.44 -3.54 11.69 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.87 -1.144 . . . . 0.0 113.003 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -46.28 16.53 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.098 1.359 . . . . 0.0 114.42 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -27.19 63.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -174.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -14.73 33.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -61.38 -26.39 67.81 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -80.84 1.17 31.81 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -57.93 126.16 76.01 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 121.106 -0.997 . . . . 0.0 111.255 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.23 -8.46 23.49 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 124.057 3.171 . . . . 0.0 115.746 -176.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.44 -179.28 50.5 Favored Glycine 0 CA--C 1.542 1.774 0 CA-C-N 119.593 1.088 . . . . 0.0 114.268 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -74.22 -24.52 14.51 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.744 2.963 . . . . 0.0 114.599 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.471 0.623 0 C-N-CA 124.168 0.987 . . . . 0.0 113.018 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 114.56 0.946 . . . . 0.0 114.56 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 36.4 t30 -55.07 -19.51 7.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.24 1.416 . . . . 0.0 113.569 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -63.65 -22.27 66.81 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.941 1.697 . . . . 0.0 113.656 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 98.3 p -140.28 -0.41 1.62 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 117.749 2.499 . . . . 0.0 117.749 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 1.8 pp -142.98 171.31 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.502 1.521 . . . . 0.0 111.107 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 32.3 t -150.17 139.03 12.78 Favored Pre-proline 0 N--CA 1.474 0.751 0 O-C-N 121.484 -0.76 . . . . 0.0 112.481 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -65.67 -21.92 58.32 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.631 2.887 . . . . 0.0 113.69 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.2 p -63.62 -32.83 74.43 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.658 1.117 . . . . 0.0 112.519 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.8 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.078 0.951 . . . . 0.0 112.453 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.14 -36.73 80.14 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 110.222 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.46 -41.4 69.47 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.68 -0.637 . . . . 0.0 110.608 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.0 -32.94 74.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.577 1.151 . . . . 0.0 111.683 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.28 -49.89 73.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.632 1.173 . . . . 0.0 109.998 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.06 -44.64 94.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.907 -0.495 . . . . 0.0 111.901 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -65.73 -30.85 71.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.417 1.008 . . . . 0.0 112.171 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 94.4 m -68.49 -43.66 76.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.993 0.917 . . . . 0.0 110.311 174.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.44 -42.9 78.89 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.56 1.073 . . . . 0.0 111.59 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.07 -18.48 60.8 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 67.3 m -71.57 158.07 88.62 Favored Pre-proline 0 N--CA 1.476 0.868 0 C-N-CA 124.019 0.928 . . . . 0.0 112.718 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.5 157.5 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.46 2.107 . . . . 0.0 110.73 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 23.3 t -59.03 122.44 13.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.375 0.67 . . . . 0.0 111.733 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 98.7 p -162.91 158.83 18.9 Favored Pre-proline 0 N--CA 1.472 0.644 0 C-N-CA 125.169 1.388 . . . . 0.0 112.174 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.08 -27.78 73.82 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.911 1.74 . . . . 0.0 111.778 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.01 -43.51 92.27 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.8 0.84 . . . . 0.0 110.861 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.55 -47.37 84.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.582 0.628 . . . . 0.0 110.561 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.43 -44.76 89.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.322 0.649 . . . . 0.0 111.333 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -64.16 -41.65 97.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.433 0.693 . . . . 0.0 111.391 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.02 -41.1 97.71 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.377 0.989 . . . . 0.0 112.624 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 69.2 t -58.94 -47.3 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.126 0.875 . . . . 0.0 109.739 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.81 -44.24 97.14 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.259 0.624 . . . . 0.0 111.509 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -58.12 -50.58 73.01 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.92 0.888 . . . . 0.0 111.579 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.04 -47.47 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.144 1.377 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.0 -51.08 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.418 0.687 . . . . 0.0 111.191 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.04 -21.43 66.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.5 m -78.95 -9.62 59.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.961 0.905 . . . . 0.0 112.366 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -137.76 60.2 23.48 Favored Pre-proline 0 CA--C 1.558 1.26 0 C-N-CA 126.579 1.952 . . . . 0.0 110.873 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.56 -38.5 28.3 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.078 3.186 . . . . 0.0 116.35 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 11.3 mp0 -52.69 -48.07 66.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.534 1.534 . . . . 0.0 113.266 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.69 -27.83 28.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.2 ppp? -79.86 -38.61 32.4 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.559 1.072 . . . . 0.0 113.057 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -69.49 -38.77 77.82 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.443 0.565 . . . . 0.0 112.045 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.42 75.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.478 0.711 . . . . 0.0 112.084 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 34.9 t80 -76.34 -53.19 8.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.039 1.336 . . . . 0.0 112.758 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -42.13 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.066 -1.021 . . . . 0.0 113.407 -177.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -59.06 -21.1 58.61 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -99.05 -36.51 9.68 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.758 0.708 . . . . 0.0 112.008 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -36.14 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.722 1.209 . . . . 0.0 112.346 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 9.6 t -55.57 -30.85 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.859 1.263 . . . . 0.0 113.524 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.98 -14.57 54.98 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -117.17 7.02 12.89 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.669 1.988 . . . . 0.0 113.17 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.36 24.06 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 7.8 p -122.0 8.31 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 128.891 2.877 . . . . 0.0 111.253 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -57.1 -22.17 37.62 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.263 2.225 . . . . 0.0 116.998 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 7.1 p30 -47.09 119.11 2.4 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.194 1.397 . . . . 0.0 113.878 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -157.61 175.6 3.14 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 127.817 2.447 . . . . 0.0 109.382 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.59 142.06 25.07 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.202 2.601 . . . . 0.0 114.156 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -74.43 53.84 2.36 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.957 1.741 . . . . 0.0 114.651 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 62.2 ttp -55.96 140.11 44.15 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.155 1.782 . . . . 0.0 113.546 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 127.277 2.231 . . . . 0.0 114.752 178.486 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 N-CA-C 114.122 0.778 . . . . 0.0 114.122 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -151.16 -179.73 7.57 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.471 1.508 . . . . 0.0 112.274 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 92.2 p -142.73 167.08 22.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.759 1.624 . . . . 0.0 111.325 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -66.55 12.92 0.06 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.537 1.135 . . . . 0.0 113.543 173.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -125.26 11.66 8.15 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.225 2.21 . . . . 0.0 112.691 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -110.73 155.13 22.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.066 1.346 . . . . 0.0 113.593 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -52.04 -35.95 48.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.873 1.269 . . . . 0.0 114.415 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -71.77 -37.78 70.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.24 -24.99 51.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.565 0.62 . . . . 0.0 112.529 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.07 -37.64 69.57 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.82 -0.61 . . . . 0.0 110.782 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -63.35 -31.15 72.22 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -76.91 -19.53 57.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.6 1.16 . . . . 0.0 113.721 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.0 mt -117.53 -39.51 3.15 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt 29.21 63.59 0.77 Allowed Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 127.537 2.335 . . . . 0.0 114.407 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -84.78 -20.67 3.6 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 124.724 3.616 . . . . 0.0 114.904 -176.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -44.73 -36.85 3.37 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 117.878 2.548 . . . . 0.0 117.878 -172.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -136.86 16.16 3.07 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.014 1.326 . . . . 0.0 111.176 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -71.57 -14.49 62.1 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 19.5 m -68.99 -10.11 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 128.123 2.569 . . . . 0.0 115.639 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -126.1 170.32 11.89 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.283 1.833 . . . . 0.0 114.253 -176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.9 m -166.63 80.48 1.01 Allowed Pre-proline 0 N--CA 1.479 0.999 0 C-N-CA 126.64 1.976 . . . . 0.0 110.743 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.69 -33.09 22.32 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.659 2.239 . . . . 0.0 113.045 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 70.6 mt -147.57 148.5 31.13 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 127.21 2.204 . . . . 0.0 109.512 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.22 -35.64 95.71 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.337 2.691 . . . . 0.0 114.439 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -154.48 151.89 29.48 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.115 2.166 . . . . 0.0 111.211 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -157.51 128.62 6.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.961 1.704 . . . . 0.0 109.142 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.0 170.85 10.31 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 46.1 mtp -81.86 32.88 0.37 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.296 1.838 . . . . 0.0 113.765 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.68 -32.33 69.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -144.06 30.77 1.28 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.622 1.169 . . . . 0.0 113.039 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -148.34 149.66 32.21 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.819 1.647 . . . . 0.0 111.182 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 24.7 tpp -159.36 135.79 9.13 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.869 0.867 . . . . 0.0 112.057 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 156.64 17.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.116 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -133.98 162.65 56.4 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 126.568 1.947 . . . . 0.0 110.475 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -57.14 -21.68 44.05 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.605 2.203 . . . . 0.0 113.847 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -57.22 -34.7 68.81 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.682 1.193 . . . . 0.0 112.829 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.44 -28.53 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.728 1.211 . . . . 0.0 112.368 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 27.5 mt -83.54 -38.42 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.543 1.537 . . . . 0.0 111.065 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.35 3.86 3.39 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.771 -1.206 . . . . 0.0 113.229 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -54.5 5.04 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.046 1.339 . . . . 0.0 111.987 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -25.65 59.11 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -177.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -11.33 60.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 118.989 0.813 . . . . 0.0 113.035 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -27.84 63.67 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 0.61 73.15 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 130.088 3.355 . . . . 0.0 116.225 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.71 149.44 92.72 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.351 1.461 . . . . 0.0 114.161 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.4 -5.2 16.33 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 124.739 3.626 . . . . 0.0 113.957 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.18 -177.74 41.91 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 125.516 1.531 . . . . 0.0 113.167 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.47 -18.74 29.29 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.912 3.075 . . . . 0.0 114.406 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 125.481 1.513 . . . . 0.0 111.869 179.709 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo . . . . . 0 CA--C 1.538 0.694 0 N-CA-C 114.749 1.019 . . . . 0.0 114.749 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 9.9 m120 -53.45 -21.88 6.91 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.572 1.549 . . . . 0.0 114.428 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -64.7 -18.26 64.83 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.326 1.85 . . . . 0.0 113.95 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 54.0 m -110.14 178.51 4.37 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.731 1.612 . . . . 0.0 113.287 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 29.8 pt -136.73 165.11 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.28 1.832 . . . . 0.0 110.778 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 15.7 m -156.61 149.75 18.63 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 125.228 1.411 . . . . 0.0 111.017 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.61 -28.45 44.82 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.094 2.529 . . . . 0.0 113.703 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.8 p -58.37 -35.61 72.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.957 1.303 . . . . 0.0 113.139 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.56 71.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.873 0.869 . . . . 0.0 113.23 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.61 -36.43 73.5 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.532 -0.73 . . . . 0.0 110.54 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.76 -36.25 78.1 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.797 -0.565 . . . . 0.0 110.977 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.99 -38.68 91.75 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.504 -0.748 . . . . 0.0 111.029 174.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.74 -47.51 85.97 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.331 -0.856 . . . . 0.0 109.578 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.69 -48.96 79.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.151 0.58 . . . . 0.0 112.171 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -64.55 -29.79 70.82 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.055 0.843 . . . . 0.0 112.985 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 33.4 m -77.78 -38.25 47.08 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.955 0.902 . . . . 0.0 111.243 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.18 -33.64 75.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.561 1.144 . . . . 0.0 111.692 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.64 -29.42 70.62 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 70.6 m -70.27 154.22 94.66 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.587 1.155 . . . . 0.0 111.863 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.43 150.66 84.21 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.757 2.304 . . . . 0.0 112.515 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 45.1 m -62.51 127.4 31.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.91 1.284 . . . . 0.0 113.369 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 89.3 p -160.74 156.68 22.26 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 126.469 1.908 . . . . 0.0 109.638 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -53.5 -34.66 73.22 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.466 2.11 . . . . 0.0 111.963 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -69.07 -48.55 62.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.276 1.431 . . . . 0.0 111.755 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -62.96 -41.59 99.57 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 0.0 110.893 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.22 -50.7 72.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.866 1.266 . . . . 0.0 109.762 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -59.0 -36.27 74.65 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.848 0.859 . . . . 0.0 112.22 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -62.91 -41.41 99.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.025 1.284 . . . . 0.0 112.202 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 85.3 t -62.5 -42.49 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.732 1.151 . . . . 0.0 109.898 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.77 -40.81 93.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.649 -0.657 . . . . 0.0 111.323 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.07 -44.29 96.22 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.887 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 50.4 mt -61.99 -39.53 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.916 1.287 . . . . 0.0 110.522 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.09 -44.88 68.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.411 -0.806 . . . . 0.0 111.084 175.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -62.38 -22.38 66.08 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.377 1.471 . . . . 0.0 113.756 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 68.1 m -69.21 -17.18 63.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.294 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.16 67.88 4.15 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 127.524 2.33 . . . . 0.0 109.807 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.44 -22.57 59.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.839 3.026 . . . . 0.0 116.043 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -43.9 -47.2 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.531 1.932 . . . . 0.0 114.031 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.25 -38.73 30.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.356 1.062 . . . . 0.0 113.552 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.1 ttp -65.34 -42.81 92.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.551 0.741 . . . . 0.0 112.013 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -57.24 -28.92 63.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.836 1.254 . . . . 0.0 114.113 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.45 81.4 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.483 -0.761 . . . . 0.0 112.78 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 10.9 t80 -76.54 -52.67 9.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.009 1.323 . . . . 0.0 112.803 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2102 ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -57.47 -38.54 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -53.59 -27.22 25.41 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -97.32 -38.35 9.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.593 0.757 . . . . 0.0 111.472 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -59.44 -37.13 77.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.938 1.295 . . . . 0.0 112.939 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.2 t -54.49 -31.45 55.94 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.702 1.201 . . . . 0.0 113.585 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.89 49.8 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -128.36 -6.6 5.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.118 1.367 . . . . 0.0 114.034 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 2.2 t80 -81.99 45.14 0.89 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.568 1.947 . . . . 0.0 113.188 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 3.6 p -77.49 109.55 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.684 1.594 . . . . 0.0 109.901 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -92.12 4.88 52.21 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -174.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -113.84 13.72 18.47 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -66.32 154.02 91.33 Favored Pre-proline 0 CA--C 1.553 1.072 0 O-C-N 121.077 -1.014 . . . . 0.0 111.11 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.49 -8.5 23.76 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 123.63 2.886 . . . . 0.0 115.823 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 103.55 10.1 36.53 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 14.3 tpt -143.42 148.82 36.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.418 1.487 . . . . 0.0 110.35 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 125.825 1.65 . . . . 0.0 111.329 -178.593 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.538 0.687 0 N-CA-C 113.72 0.623 . . . . 0.0 113.72 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -145.77 159.35 43.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.099 1.76 . . . . 0.0 110.897 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 52.1 p -79.6 166.24 22.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.725 0.774 . . . . 0.0 112.419 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -94.74 3.32 55.18 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.561 0.744 . . . . 0.0 111.533 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -85.26 -40.81 16.19 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.648 1.179 . . . . 0.0 113.867 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p 0.35 -93.6 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 129.295 3.038 . . . . 0.0 116.618 -176.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -57.81 -39.78 78.41 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.847 2.459 . . . . 0.0 114.202 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' B' ' 23' ' ' TRP . 68.5 m -65.56 -30.92 71.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.296 1.039 . . . . 0.0 111.908 176.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -72.31 -27.13 62.25 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.08 1.352 . . . . 0.0 112.774 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.44 -37.1 82.49 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.854 -0.529 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TRP . . . . . 0.475 ' CD1' ' HA ' ' B' ' 20' ' ' SER . 11.0 m95 -60.26 -31.68 70.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.481 0.582 . . . . 0.0 112.241 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.93 -44.12 64.15 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.196 1.399 . . . . 0.0 111.675 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt -77.16 -37.28 54.15 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.558 1.543 . . . . 0.0 114.477 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 mt -52.66 -55.53 31.75 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 118.47 2.767 . . . . 0.0 118.47 -175.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.21 4.76 2.62 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.718 3.612 . . . . 0.0 114.038 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -128.49 5.61 5.68 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.424 1.09 . . . . 0.0 113.871 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -126.9 -2.36 6.55 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.176 1.79 . . . . 0.0 111.505 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -145.78 145.42 30.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.163 1.385 . . . . 0.0 112.167 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.86 -15.31 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 126.149 1.78 . . . . 0.0 114.005 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 mt -85.4 166.01 16.74 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.864 2.066 . . . . 0.0 114.456 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.1 p -150.28 153.1 34.51 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 128.158 2.583 . . . . 0.0 109.234 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.02 -31.36 9.86 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.283 1.989 . . . . 0.0 113.81 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 64.5 mt -146.07 154.11 50.06 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 126.99 2.116 . . . . 0.0 109.918 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.03 -18.05 51.52 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.819 3.013 . . . . 0.0 116.253 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.4 p -124.07 7.72 8.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -59.06 117.41 4.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.888 1.275 . . . . 0.0 110.999 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.1 176.74 11.23 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.835 1.254 . . . . 0.0 112.646 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 43.1 mtp -76.99 38.31 0.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.797 1.639 . . . . 0.0 114.507 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.57 -33.98 77.18 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -146.73 29.28 1.02 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.636 1.174 . . . . 0.0 113.172 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 pp -148.45 151.93 36.07 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.318 1.447 . . . . 0.0 111.822 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 27.0 tpp -154.16 148.92 26.52 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.978 0.911 . . . . 0.0 112.983 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.18 159.56 11.83 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.55 1.54 . . . . 0.0 114.916 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.3 m -122.28 165.72 19.85 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.099 2.56 . . . . 0.0 111.47 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.45 -24.43 61.04 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.44 2.094 . . . . 0.0 114.035 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.83 -35.82 73.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.884 1.273 . . . . 0.0 112.075 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -70.93 -33.27 70.34 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.938 . . . . 0.0 111.588 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -75.36 -43.77 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.847 1.259 . . . . 0.0 111.024 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.48 -7.0 47.63 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.864 -1.148 . . . . 0.0 113.268 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -49.3 9.77 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.786 1.234 . . . . 0.0 113.333 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -24.01 62.15 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -174.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -9.72 50.52 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -12.99 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -51.73 140.44 19.03 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.901 1.28 . . . . 0.0 113.124 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -133.6 88.51 33.72 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.817 1.247 . . . . 0.0 111.838 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -77.03 -4.91 15.4 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.554 2.836 . . . . 0.0 114.1 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.31 65.26 2.57 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.496 1.046 . . . . 0.0 113.771 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.81 -14.29 38.67 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.571 2.847 . . . . 0.0 114.64 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.778 1.631 . . . . 0.0 111.535 179.071 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 CA--C 1.543 0.93 0 N-CA-C 113.31 0.466 . . . . 0.0 113.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 36.5 p30 -135.23 6.29 3.31 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.027 1.731 . . . . 0.0 114.488 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -84.35 168.61 15.44 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.402 1.481 . . . . 0.0 111.365 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 67.3 m -129.13 79.11 1.89 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.387 1.475 . . . . 0.0 111.413 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 17.7 pt -142.05 133.99 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.868 1.667 . . . . 0.0 110.027 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 57.8 m -84.55 134.79 41.75 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 123.311 0.644 . . . . 0.0 112.212 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.29 -25.83 36.08 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.754 2.303 . . . . 0.0 112.646 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 28.5 p -56.36 -34.05 66.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.453 1.101 . . . . 0.0 112.898 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.5 70.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.629 1.172 . . . . 0.0 112.94 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.5 -49.39 66.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.141 0.977 . . . . 0.0 109.847 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.45 -41.93 96.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.651 0.38 . . . . 0.0 111.394 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.73 -38.64 91.69 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.772 0.829 . . . . 0.0 112.204 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.57 -50.71 68.4 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.108 -0.995 . . . . 0.0 110.003 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.93 -45.26 94.46 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -60.53 -32.02 71.08 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.432 1.015 . . . . 0.0 111.824 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.0 m -75.52 -43.56 48.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.347 1.059 . . . . 0.0 111.196 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.14 -37.77 75.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.713 1.205 . . . . 0.0 112.337 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.92 -16.98 64.35 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.8 m -68.37 162.49 61.09 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.772 1.229 . . . . 0.0 112.305 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.91 153.0 73.43 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.09 1.86 . . . . 0.0 111.182 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 35.0 m -58.65 120.37 8.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.921 1.288 . . . . 0.0 113.156 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.9 p -160.23 159.18 26.61 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.118 0.967 . . . . 0.0 113.15 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -57.71 -33.83 97.31 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.589 2.193 . . . . 0.0 111.617 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -63.83 -43.99 94.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.986 1.314 . . . . 0.0 111.343 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.29 -49.29 76.22 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.653 0.781 . . . . 0.0 110.574 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.01 -47.88 81.71 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.218 0.607 . . . . 0.0 110.481 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.09 -40.53 89.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.926 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.53 -44.21 94.89 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.929 1.24 . . . . 0.0 112.6 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 59.2 t -63.43 -40.86 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 119.748 1.158 . . . . 0.0 110.205 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.08 -39.81 91.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.624 0.647 . . . . 0.0 111.224 174.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -62.1 -47.0 86.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 110.918 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.24 -44.5 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.134 1.374 . . . . 0.0 110.726 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.24 -42.69 79.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.115 0.966 . . . . 0.0 112.21 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.67 -23.11 67.24 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.231 1.012 . . . . 0.0 112.296 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 47.4 m -80.96 -8.35 59.74 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.516 1.126 . . . . 0.0 112.282 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -138.13 58.95 16.57 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.255 2.222 . . . . 0.0 110.53 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.21 -32.68 41.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.54 2.827 . . . . 0.0 115.923 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -50.9 -50.22 57.78 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.772 1.629 . . . . 0.0 112.76 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.77 -28.7 27.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 4.8 ttp -72.02 -52.18 18.19 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.19 0.596 . . . . 0.0 112.032 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.83 85.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.408 1.083 . . . . 0.0 112.325 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.7 95.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.901 0.48 . . . . 0.0 111.555 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.3 -52.68 21.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.575 0.75 . . . . 0.0 112.701 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -43.22 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.812 0.733 . . . . 0.0 112.776 -176.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 10.8 mtpm? -60.76 -19.42 59.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -98.54 -42.48 7.28 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.122 174.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -62.79 -36.93 84.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.388 1.475 . . . . 0.0 112.984 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -56.27 -29.68 61.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.14 0.976 . . . . 0.0 113.064 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.24 -13.46 28.34 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.58 1.152 . . . . 0.0 113.986 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 44.8 tptt -117.39 1.05 12.33 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.759 2.024 . . . . 0.0 112.644 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -103.23 32.25 3.87 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.701 2.4 . . . . 0.0 110.973 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 8.0 p -114.23 123.18 69.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 126.713 2.005 . . . . 0.0 110.158 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -141.16 169.56 17.39 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.953 1.701 . . . . 0.0 111.889 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -63.15 157.8 21.45 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.163 0.985 . . . . 0.0 112.603 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.02 144.23 82.79 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.274 1.03 . . . . 0.0 113.774 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -70.76 -18.88 32.01 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 123.541 2.827 . . . . 0.0 114.002 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -84.16 1.13 89.12 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.807 1.194 . . . . 0.0 114.597 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 41.9 ttp -56.52 138.28 52.06 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.891 1.676 . . . . 0.0 112.438 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 124.82 1.248 . . . . 0.0 112.609 179.598 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.54 0.794 0 N-CA-C 114.25 0.827 . . . . 0.0 114.25 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 pp -136.79 164.72 27.61 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.096 1.758 . . . . 0.0 113.47 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -56.17 142.14 38.15 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -80.8 17.07 1.23 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.302 1.841 . . . . 0.0 114.517 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.67 10.02 9.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.937 1.695 . . . . 0.0 112.388 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 73.9 p -82.86 -169.61 2.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.13 1.772 . . . . 0.0 111.218 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -35.64 -43.03 0.26 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.239 2.215 . . . . 0.0 116.639 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -60.28 -34.49 73.82 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -90.62 -26.98 19.37 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.003 1.321 . . . . 0.0 111.411 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.4 -35.96 76.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.512 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -57.55 -36.23 71.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.447 1.022 . . . . 0.0 112.833 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.28 -31.88 49.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.178 1.391 . . . . 0.0 113.14 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 mt -92.24 -52.7 4.56 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt 27.24 65.36 0.58 Allowed Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 126.499 1.919 . . . . 0.0 113.277 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.45 -26.61 14.04 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 124.589 3.526 . . . . 0.0 117.357 -170.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pm0 -57.79 -35.54 70.96 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -173.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -143.61 40.16 1.42 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.291 1.837 . . . . 0.0 109.217 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -40.4 -24.1 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 120.411 3.485 . . . . 0.0 120.411 -174.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 m -134.59 4.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -137.22 174.57 10.46 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.88 1.672 . . . . 0.0 114.778 -175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 71.2 m -157.73 154.28 24.57 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 126.372 1.869 . . . . 0.0 109.67 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -71.94 -18.95 27.45 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.753 2.302 . . . . 0.0 112.921 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.6 mt -140.15 141.0 25.02 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 126.929 2.091 . . . . 0.0 109.33 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -80.95 -6.31 13.16 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.657 2.905 . . . . 0.0 114.768 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.3 t -142.41 -169.34 2.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.694 1.198 . . . . 0.0 113.001 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -49.9 142.88 8.42 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.239 2.215 . . . . 0.0 113.44 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -145.73 -6.33 0.61 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.443 1.497 . . . . 0.0 114.795 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 43.7 mtp -79.51 25.24 0.33 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.506 1.522 . . . . 0.0 114.803 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.24 -38.36 79.85 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -146.32 23.68 1.3 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.607 1.163 . . . . 0.0 113.308 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -138.56 142.63 39.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.07 1.748 . . . . 0.0 109.636 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 31.9 tpp -151.14 159.88 44.2 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.744 0.817 . . . . 0.0 113.087 -174.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.54 149.38 48.83 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.834 0.854 . . . . 0.0 111.728 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -130.93 166.63 26.14 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 127.269 2.228 . . . . 0.0 111.046 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -54.86 -28.24 57.33 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.621 2.214 . . . . 0.0 113.95 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.45 -34.42 72.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.306 1.042 . . . . 0.0 112.843 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -77.28 -30.57 54.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.331 1.052 . . . . 0.0 111.884 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.64 -35.57 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.55 1.54 . . . . 0.0 111.471 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.67 -3.34 30.8 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.204 -1.56 . . . . 0.0 113.302 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -46.67 12.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.049 1.34 . . . . 0.0 114.303 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -19.65 55.31 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -173.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -12.7 36.2 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 3.1 t -53.65 -27.45 27.48 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -174.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -70.33 -11.71 61.09 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.75 117.41 34.93 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.196 1.398 . . . . 0.0 112.248 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.84 -16.28 29.57 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 123.403 2.735 . . . . 0.0 113.254 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.08 155.62 9.57 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 126.826 2.155 . . . . 0.0 113.212 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -76.24 -8.69 18.77 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.085 3.19 . . . . 0.0 113.99 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 126.132 1.773 . . . . 0.0 111.837 -179.024 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo . . . . . 0 CA--C 1.544 0.977 0 N-CA-C 113.411 0.504 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.06 37.99 1.59 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.227 1.811 . . . . 0.0 110.684 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -123.38 21.88 9.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.342 1.857 . . . . 0.0 113.432 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 63.0 p -120.78 163.11 18.64 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.278 1.831 . . . . 0.0 112.083 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 21.0 pt -57.56 138.27 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.277 1.031 . . . . 0.0 112.529 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 37.7 t -162.47 145.29 8.64 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 123.963 0.905 . . . . 0.0 112.217 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -62.07 -19.73 67.31 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.026 2.484 . . . . 0.0 113.208 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.8 p -64.77 -32.36 74.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.152 -0.968 . . . . 0.0 111.808 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.67 -33.71 73.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.251 1.02 . . . . 0.0 112.538 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.28 -32.41 71.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.188 0.995 . . . . 0.0 109.79 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.06 -36.67 66.92 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.783 -0.573 . . . . 0.0 110.669 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -64.29 -34.33 77.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.391 -0.818 . . . . 0.0 111.196 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.53 -45.03 95.38 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.375 -0.828 . . . . 0.0 109.559 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.66 -48.41 81.92 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.791 -0.624 . . . . 0.0 111.856 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -62.94 -31.48 72.59 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 119.951 1.25 . . . . 0.0 112.353 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 97.9 m -69.63 -40.96 76.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.513 1.125 . . . . 0.0 111.102 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 31.1 tp -63.11 -38.74 92.37 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.231 -0.918 . . . . 0.0 110.352 174.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -74.57 45.39 0.24 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.507 1.923 . . . . 0.0 114.233 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 16.1 p -146.08 161.41 39.59 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.297 1.439 . . . . 0.0 111.606 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 157.44 39.19 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.817 2.345 . . . . 0.0 113.093 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.0 m -54.49 107.93 0.33 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.934 1.694 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -159.83 160.05 27.38 Favored Pre-proline 0 N--CA 1.472 0.668 0 C-N-CA 123.946 0.899 . . . . 0.0 112.804 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -59.72 -29.59 90.07 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.398 2.066 . . . . 0.0 111.889 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.023 0.929 . . . . 0.0 111.369 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.0 -44.96 95.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.25 0.62 . . . . 0.0 110.219 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.87 -40.93 97.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.829 0.852 . . . . 0.0 111.645 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -62.72 -40.02 95.87 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.678 -0.638 . . . . 0.0 110.694 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -61.16 -45.85 92.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.737 0.699 . . . . 0.0 110.671 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 95.1 t -58.18 -48.81 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 118.744 0.702 . . . . 0.0 110.244 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.25 -46.17 83.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.089 0.956 . . . . 0.0 111.465 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -60.04 -48.95 79.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.799 0.84 . . . . 0.0 111.835 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.89 -53.7 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.37 1.068 . . . . 0.0 110.073 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.77 -42.96 99.93 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.89 -26.64 68.41 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.255 1.389 . . . . 0.0 112.73 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 45.8 m -84.31 -6.46 59.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.409 1.084 . . . . 0.0 112.464 174.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -133.07 63.53 67.01 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.861 2.064 . . . . 0.0 110.131 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -57.76 -39.33 88.18 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.127 3.218 . . . . 0.0 114.525 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -41.62 76.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.01 -35.68 23.69 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.728 0.695 . . . . 0.0 112.758 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.3 -52.37 48.0 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.197 0.599 . . . . 0.0 112.233 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.449 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -65.62 -34.6 78.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.276 0.63 . . . . 0.0 111.547 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.05 96.66 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.605 -0.684 . . . . 0.0 110.743 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.74 -53.21 23.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.09 0.956 . . . . 0.0 113.093 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2102 ' ' ILE . . . . . 0.449 HG22 ' HA ' ' A' 2099 ' ' ALA . 0.1 OUTLIER -61.55 -42.87 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.719 1.145 . . . . 0.0 112.668 -177.549 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.92 -16.37 50.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.789 0.722 . . . . 0.0 112.935 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -99.14 -45.68 5.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 111.702 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.4 75.26 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.923 1.289 . . . . 0.0 112.711 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.2 t -51.46 -32.7 28.02 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.926 1.291 . . . . 0.0 112.858 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.93 -17.95 64.03 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.135 1.374 . . . . 0.0 114.344 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -136.94 12.66 3.12 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.02 2.128 . . . . 0.0 114.174 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 12.6 t80 -55.28 118.19 4.18 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2110 ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' 2112 ' ' ASN . 45.3 t -144.43 138.41 23.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 127.909 2.483 . . . . 0.0 107.605 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -61.21 -8.89 4.04 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2112 ' ' ASN . . . . . 0.412 ' H ' HG12 ' A' 2110 ' ' VAL . 68.2 m-80 -153.07 164.15 38.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.888 2.075 . . . . 0.0 110.338 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -154.56 151.94 24.87 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.991 1.316 . . . . 0.0 111.743 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -54.26 156.79 12.66 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 124.202 3.268 . . . . 0.0 115.217 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -165.8 53.18 0.26 Allowed Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.278 0.942 . . . . 0.0 114.134 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 24.1 ptt? -135.14 22.16 3.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.119 1.367 . . . . 0.0 113.965 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 112.515 179.546 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 CA--C 1.54 0.817 0 N-CA-C 113.48 0.531 . . . . 0.0 113.48 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 147.03 47.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.191 1.396 . . . . 0.0 113.053 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 17.8 m -68.76 164.78 21.02 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.622 1.169 . . . . 0.0 112.252 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -110.11 9.31 24.07 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.553 1.141 . . . . 0.0 112.796 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.08 15.47 7.32 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.035 1.734 . . . . 0.0 112.642 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 63.2 p -65.4 172.23 3.38 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.09 1.356 . . . . 0.0 112.699 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -48.48 -34.27 10.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.236 1.014 . . . . 0.0 113.684 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -62.58 -31.44 72.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.85 1.26 . . . . 0.0 113.893 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.72 -23.63 29.24 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 111.856 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.36 -34.61 75.59 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.479 -0.763 . . . . 0.0 110.825 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -58.75 -34.2 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.156 0.582 . . . . 0.0 112.265 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -77.73 -34.21 52.69 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.999 1.32 . . . . 0.0 112.217 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.31 -32.91 64.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.439 1.096 . . . . 0.0 112.429 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.06 165.19 23.12 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.336 1.454 . . . . 0.0 112.792 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -57.28 33.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.178 1 C-N-CA 127.899 5.733 . . . . 0.0 119.124 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -50.62 -25.39 4.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.568 1.947 . . . . 0.0 114.807 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -72.6 -7.98 52.96 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.309 1.443 . . . . 0.0 113.605 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -129.47 17.04 5.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.159 1.784 . . . . 0.0 114.766 -174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 23.4 m -56.25 -23.88 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.47 121.01 9.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.13 1.372 . . . . 0.0 112.347 -177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 5.6 m -160.76 156.29 21.58 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 127.03 2.132 . . . . 0.0 110.788 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.37 -19.48 49.53 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 123.256 2.638 . . . . 0.0 113.13 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mp -116.31 74.79 5.96 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 127.855 2.462 . . . . 0.0 108.863 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.69 -18.7 32.47 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.338 2.692 . . . . 0.0 114.878 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -139.53 -0.02 1.81 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -97.57 6.38 48.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.036 1.334 . . . . 0.0 114.384 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.1 -12.06 46.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.838 1.655 . . . . 0.0 115.428 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 30.0 mtt -117.7 13.89 14.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.181 1.393 . . . . 0.0 113.817 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.37 -29.77 66.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -130.11 12.26 5.59 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.334 1.454 . . . . 0.0 112.989 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.85 113.46 5.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.454 1.502 . . . . 0.0 111.701 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.7 tpp -142.03 132.98 25.91 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.88 1.272 . . . . 0.0 110.945 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.417 HD22 ' H ' ' B' ' 45' ' ' LEU . 2.8 mm? -60.56 175.34 0.47 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.354 3.062 . . . . 0.0 114.51 -176.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -126.67 164.89 31.77 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.618 2.367 . . . . 0.0 109.499 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -56.2 -28.63 71.93 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.356 2.037 . . . . 0.0 113.724 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -27.02 65.47 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.109 1.364 . . . . 0.0 113.419 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -91.49 -28.77 17.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 111.792 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 50.4 mt -81.78 -32.22 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.984 1.314 . . . . 0.0 111.297 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.91 2.62 4.09 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.64 -1.287 . . . . 0.0 112.998 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -78.47 -60.18 2.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.472 1.509 . . . . 0.0 113.104 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -20.79 61.59 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -172.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -9.96 59.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 t -56.3 -28.76 59.87 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.63 -6.9 59.44 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.595 1.158 . . . . 0.0 113.996 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.15 136.02 82.13 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.835 1.254 . . . . 0.0 110.825 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.76 -7.14 20.68 Favored 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.395 3.397 . . . . 0.0 115.397 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.63 67.53 0.47 Allowed Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.641 1.591 . . . . 0.0 113.014 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -71.05 -11.23 28.84 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.802 3.001 . . . . 0.0 113.827 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.4 t0 . . . . . 0 C--O 1.24 0.588 0 C-N-CA 125.849 1.66 . . . . 0.0 113.366 178.532 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 CA--C 1.541 0.874 0 N-CA-C 113.502 0.539 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -74.02 -12.12 60.53 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.893 1.277 . . . . 0.0 113.773 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.72 159.13 30.75 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.759 1.623 . . . . 0.0 112.928 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 3.6 p -87.86 72.76 9.31 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.163 1.785 . . . . 0.0 113.84 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 19.0 pt -148.15 161.14 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.351 1.86 . . . . 0.0 111.142 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.4 m -145.23 136.57 12.65 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.687 1.195 . . . . 0.0 111.197 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.38 -24.46 31.38 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.008 2.472 . . . . 0.0 112.415 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 27.0 p -55.85 -31.5 62.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.065 0.946 . . . . 0.0 112.72 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.08 71.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.368 1.067 . . . . 0.0 112.194 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.67 -41.75 68.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.928 1.291 . . . . 0.0 110.487 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -67.05 -42.14 85.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.547 -0.721 . . . . 0.0 111.103 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -66.34 -29.45 69.64 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.671 -0.643 . . . . 0.0 112.353 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.35 -50.1 69.05 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.207 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 39.8 mt -59.61 -46.65 88.35 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 118.785 -0.626 . . . . 0.0 112.618 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.63 -29.71 70.24 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.599 1.09 . . . . 0.0 112.145 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 85.9 m -73.8 -41.71 61.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.481 1.112 . . . . 0.0 110.343 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.39 -33.99 74.6 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.588 1.555 . . . . 0.0 111.943 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -57.48 -27.29 62.38 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -66.04 160.18 65.34 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.901 1.28 . . . . 0.0 112.503 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.62 150.88 83.71 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.102 1.868 . . . . 0.0 111.392 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.6 m -55.54 122.61 11.68 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.715 1.606 . . . . 0.0 113.644 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 94.8 p -163.23 159.26 18.3 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -59.79 -28.13 86.54 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.901 2.401 . . . . 0.0 112.209 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -65.6 -44.08 87.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.017 0.927 . . . . 0.0 110.701 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -62.13 -46.41 89.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.171 0.989 . . . . 0.0 110.774 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.59 -50.41 70.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.974 1.31 . . . . 0.0 110.696 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.13 -40.67 98.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.114 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.44 -41.67 98.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.801 1.182 . . . . 0.0 112.7 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.7 t -64.72 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.754 1.161 . . . . 0.0 110.617 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.65 -43.53 97.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.837 0.744 . . . . 0.0 110.38 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.61 -46.62 89.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.686 0.794 . . . . 0.0 111.236 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.43 -45.94 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.158 1.383 . . . . 0.0 110.94 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.55 -43.91 75.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.857 0.863 . . . . 0.0 113.085 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.36 -13.88 59.57 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 61.8 m -81.36 -9.77 59.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.794 1.238 . . . . 0.0 112.553 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.3 p30 -148.41 61.75 5.98 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 127.832 2.453 . . . . 0.0 109.548 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -62.69 -15.91 49.56 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.631 2.888 . . . . 0.0 115.645 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -52.63 -47.65 66.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.256 1.422 . . . . 0.0 111.753 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.82 -28.01 28.36 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 15.5 tmm? -70.24 -47.12 62.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.764 0.826 . . . . 0.0 111.92 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.04 76.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.343 0.657 . . . . 0.0 112.062 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.07 -39.47 82.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.691 -0.631 . . . . 0.0 110.735 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2101 ' ' PHE . . . . . 0.433 ' HA ' HD22 ' B' ' 26' ' ' LEU . 25.8 t80 -62.13 -52.52 63.53 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.962 0.905 . . . . 0.0 111.534 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -38.4 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.415 1.007 . . . . 0.0 111.949 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.87 -28.83 62.29 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.197 0.908 . . . . 0.0 112.884 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.99 -42.67 9.32 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.383 0.673 . . . . 0.0 111.633 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -32.72 73.3 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.158 1.383 . . . . 0.0 113.47 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.6 t -59.5 -31.27 69.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.594 1.157 . . . . 0.0 112.808 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.18 -13.69 40.25 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.5 1.12 . . . . 0.0 113.837 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 21.4 tptp -124.85 5.46 8.06 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.558 1.943 . . . . 0.0 112.61 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.83 47.44 1.49 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.756 1.622 . . . . 0.0 113.46 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 14.1 p -126.65 122.2 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 127.22 2.208 . . . . 0.0 109.315 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -98.64 2.47 47.29 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -174.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -131.52 76.34 1.71 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.893 1.277 . . . . 0.0 111.609 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -141.94 153.54 64.19 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 126.681 1.993 . . . . 0.0 110.201 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.42 162.86 40.23 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.261 2.641 . . . . 0.0 113.205 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -157.9 32.64 0.52 Allowed Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.601 1.096 . . . . 0.0 114.407 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.6 153.98 46.28 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.912 1.685 . . . . 0.0 111.19 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.855 1.262 . . . . 0.0 111.681 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 114.196 0.806 . . . . 0.0 114.196 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -151.97 169.34 22.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.392 1.477 . . . . 0.0 112.046 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -154.81 174.12 15.51 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.23 1.412 . . . . 0.0 111.19 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.82 7.39 0.37 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.858 2.463 . . . . 0.0 113.815 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -127.91 14.79 6.88 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.913 2.085 . . . . 0.0 112.456 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.3 p -98.72 -156.19 0.53 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.037 1.735 . . . . 0.0 110.993 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.93 -30.6 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.958 1.303 . . . . 0.0 113.488 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -56.28 -37.24 69.57 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.942 1.697 . . . . 0.0 113.128 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -83.0 -29.76 28.68 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.816 1.247 . . . . 0.0 111.918 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.01 -35.61 77.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.236 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -60.95 -30.68 70.38 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.593 1.088 . . . . 0.0 112.436 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -75.27 -23.2 57.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.984 1.314 . . . . 0.0 113.344 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.67 -9.84 58.59 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.677 1.191 . . . . 0.0 113.499 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' 2101 ' ' PHE . 83.5 mt -68.27 156.56 89.85 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.32 1.448 . . . . 0.0 114.054 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -75.46 40.16 0.67 Allowed 'Trans proline' 0 CA--C 1.55 1.313 1 C-N-CA 125.454 4.102 . . . . 0.0 112.101 175.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -56.53 -14.96 3.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.716 2.006 . . . . 0.0 115.921 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -111.08 10.76 22.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.538 1.535 . . . . 0.0 112.616 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -123.44 95.08 4.45 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.157 1.383 . . . . 0.0 111.453 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -76.2 -21.67 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.89 169.54 2.52 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 18.3 p -143.15 123.24 7.84 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 125.649 1.58 . . . . 0.0 111.569 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.56 1.76 8.75 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.967 3.112 . . . . 0.0 114.592 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 80.5 mt -129.86 155.43 80.53 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 126.176 1.791 . . . . 0.0 111.529 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.84 -29.02 61.07 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 124.019 3.146 . . . . 0.0 114.916 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -151.64 148.18 27.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.71 1.604 . . . . 0.0 110.994 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -144.74 123.25 12.42 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.174 1.79 . . . . 0.0 109.239 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.01 -175.43 5.43 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.698 1.599 . . . . 0.0 110.971 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 20.1 ptm -134.97 18.62 3.47 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.04 -23.56 47.45 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.753 2.021 . . . . 0.0 116.318 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -122.48 18.75 10.5 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.538 1.535 . . . . 0.0 112.631 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.78 50.88 0.99 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.228 1.811 . . . . 0.0 111.612 -177.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 138.74 55.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.882 0.873 . . . . 0.0 111.797 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.0 155.17 20.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.676 1.191 . . . . 0.0 112.999 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -135.76 167.31 22.74 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 127.211 2.204 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -55.09 -26.61 51.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.621 2.214 . . . . 0.0 113.919 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.67 -33.41 71.53 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.469 1.107 . . . . 0.0 112.81 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -77.7 -35.86 51.73 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.291 1.036 . . . . 0.0 111.343 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 43.7 mt -73.23 -36.99 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.243 1.417 . . . . 0.0 111.166 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.86 -5.25 45.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 113.3 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -47.28 11.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -22.97 60.16 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -173.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -17.11 34.66 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -17.08 63.85 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.49 -3.67 15.55 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.616 1.566 . . . . 0.0 114.738 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -51.31 119.57 12.93 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.18 1.392 . . . . 0.0 112.738 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.45 52.06 3.12 Favored 'Trans proline' 0 CA--C 1.55 1.286 0 C-N-CA 125.108 3.872 . . . . 0.0 114.106 -177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.35 169.04 41.06 Favored Glycine 0 CA--C 1.546 2.015 0 C-N-CA 124.624 1.107 . . . . 0.0 114.337 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.81 -11.51 23.86 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.116 3.211 . . . . 0.0 114.996 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.4 t0 . . . . . 0 N--CA 1.472 0.654 0 C-N-CA 124.838 1.255 . . . . 0.0 113.241 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo . . . . . 0 CA--C 1.539 0.763 0 N-CA-C 114.27 0.835 . . . . 0.0 114.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.78 -18.78 23.78 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.268 1.827 . . . . 0.0 115.144 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -117.98 21.31 12.9 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.276 1.831 . . . . 0.0 112.553 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 49.4 m -126.78 172.48 10.33 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.142 1.777 . . . . 0.0 112.082 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 22.3 pt -58.98 146.45 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.204 1.401 . . . . 0.0 113.086 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 74.4 m -91.47 123.08 64.85 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 123.985 0.914 . . . . 0.0 109.168 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.93 -23.27 74.17 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.879 2.386 . . . . 0.0 114.139 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.3 p -64.32 -36.75 85.12 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.942 0.897 . . . . 0.0 112.314 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.18 74.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.386 1.074 . . . . 0.0 112.433 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -42.32 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.013 0.925 . . . . 0.0 110.029 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.55 -37.77 74.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.865 -0.522 . . . . 0.0 111.256 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -65.98 -31.0 71.66 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.502 -0.749 . . . . 0.0 111.7 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.29 -44.17 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.829 -1.169 . . . . 0.0 109.845 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.21 -48.55 79.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.902 -0.571 . . . . 0.0 112.357 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -60.87 -34.41 74.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.676 1.125 . . . . 0.0 111.704 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.3 m -69.54 -43.82 72.2 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.391 1.076 . . . . 0.0 110.832 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.47 -40.54 93.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.057 1.343 . . . . 0.0 112.483 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.29 -33.12 75.24 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.292 1.037 . . . . 0.0 113.603 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 36.1 m -72.63 159.95 84.06 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.496 1.118 . . . . 0.0 111.204 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -61.72 149.66 89.0 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.671 2.247 . . . . 0.0 113.461 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.5 t -77.86 147.57 35.07 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.274 1.429 . . . . 0.0 114.087 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 77.9 p -168.89 162.87 7.95 Favored Pre-proline 0 N--CA 1.473 0.689 0 C-N-CA 127.413 2.285 . . . . 0.0 109.931 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -56.2 -33.12 89.76 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.407 2.071 . . . . 0.0 111.731 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -67.37 -43.11 82.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.56 1.144 . . . . 0.0 110.64 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -64.47 -40.12 95.11 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.987 0.915 . . . . 0.0 111.438 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.44 -48.39 81.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.927 0.891 . . . . 0.0 109.919 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.78 -37.79 77.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.061 0.544 . . . . 0.0 111.658 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -60.8 -45.0 96.12 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.257 0.935 . . . . 0.0 112.516 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 94.7 t -64.85 -42.91 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.073 0.851 . . . . 0.0 110.277 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.01 -38.54 82.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.611 -0.681 . . . . 0.0 111.138 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.43 -46.11 84.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.756 1.162 . . . . 0.0 111.003 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.85 -44.97 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.974 1.31 . . . . 0.0 110.28 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.26 -46.38 77.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 112.166 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -62.33 -27.23 68.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.655 1.182 . . . . 0.0 112.533 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.5 m -77.84 -7.5 56.75 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.536 1.134 . . . . 0.0 112.639 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.83 61.39 35.36 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.256 2.222 . . . . 0.0 110.149 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.65 -37.7 21.03 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 124.182 3.254 . . . . 0.0 116.391 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -47.54 -47.85 27.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.852 1.661 . . . . 0.0 113.413 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.64 -30.72 26.65 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 22.8 ttp -80.01 -45.68 17.97 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.602 -0.686 . . . . 0.0 112.241 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.91 69.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -74.89 -37.92 62.01 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 122.996 0.518 . . . . 0.0 112.066 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.31 -49.47 27.31 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.116 0.967 . . . . 0.0 112.687 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2102 ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -54.78 -37.53 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.64 0.776 . . . . 0.0 111.45 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.92 -20.76 62.61 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -94.58 -42.28 8.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.515 1.126 . . . . 0.0 109.967 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -38.33 80.57 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.203 1.401 . . . . 0.0 112.958 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -57.13 -32.87 66.8 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.147 0.979 . . . . 0.0 113.073 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.49 -19.05 65.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.628 0.771 . . . . 0.0 113.032 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2108 ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' 2108 ' ' LYS . 0.6 OUTLIER -103.88 -1.01 28.37 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.535 1.934 . . . . 0.0 111.982 177.312 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.02 48.69 1.0 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 124.209 1.957 . . . . 0.0 112.321 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 46.0 t -140.48 121.46 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 129.683 3.193 . . . . 0.0 106.966 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -145.43 170.04 17.15 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.756 1.222 . . . . 0.0 113.234 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 19.5 p30 -142.81 161.57 37.75 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.509 1.924 . . . . 0.0 113.468 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -64.65 155.86 80.33 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 125.05 1.34 . . . . 0.0 112.853 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.46 164.4 35.83 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.665 2.91 . . . . 0.0 113.123 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 135.01 -24.96 3.39 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.533 1.539 . . . . 0.0 114.1 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 25.4 ptp -81.82 -175.16 5.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.79 1.636 . . . . 0.0 113.023 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 48.3 tp60 . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 126.241 1.816 . . . . 0.0 112.495 -178.411 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 CA--C 1.536 0.598 0 N-CA-C 114.014 0.736 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.93 171.46 19.65 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.6 1.56 . . . . 0.0 112.256 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -147.35 109.44 4.49 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.814 1.292 . . . . 0.0 113.424 174.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -130.75 21.83 5.02 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.844 2.058 . . . . 0.0 107.038 169.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . 0.304 7.6 pt-20 42.67 49.0 4.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.711 2.805 . . . . 0.0 114.192 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.2 p -89.53 -171.9 3.38 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.933 2.893 . . . . 0.0 112.519 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -47.2 -38.96 12.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.134 1.374 . . . . 0.0 114.571 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -65.19 -33.26 75.59 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.947 0.899 . . . . 0.0 113.094 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -76.13 -25.51 55.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.398 1.079 . . . . 0.0 112.662 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.91 -34.47 78.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.567 -0.708 . . . . 0.0 110.829 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -61.06 -32.94 72.56 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.221 0.609 . . . . 0.0 112.489 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -74.57 -32.23 62.33 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.067 1.347 . . . . 0.0 112.027 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.77 -37.28 62.47 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.31 177.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 47.1 mt -67.4 157.36 85.85 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.481 1.513 . . . . 0.0 113.049 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.99 53.9 3.0 Favored 'Trans proline' 0 CA--C 1.546 1.115 1 C-N-CA 125.532 4.155 . . . . 0.0 114.099 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -48.06 -23.52 0.84 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.625 2.084 . . . . 0.0 116.625 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -77.25 -8.0 56.87 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -70.17 5.25 1.74 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 m -52.85 -23.82 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -86.45 1.33 51.77 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.053 1.341 . . . . 0.0 114.376 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 19.0 t -59.3 151.11 60.5 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 126.137 1.775 . . . . 0.0 113.237 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -65.05 -14.06 43.18 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.927 2.418 . . . . 0.0 112.551 173.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.3 mt -132.81 75.86 71.95 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 127.086 2.154 . . . . 0.0 109.154 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -82.59 -143.81 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 124.84 3.694 . . . . 0.0 110.723 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.8 p -57.02 -12.48 2.09 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -82.09 5.77 18.46 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.815 1.646 . . . . 0.0 113.814 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.57 -20.23 54.24 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.771 1.629 . . . . 0.0 113.819 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.0 mtt -75.97 19.39 0.22 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.538 1.935 . . . . 0.0 115.043 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.03 -25.9 68.04 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 120.622 -1.299 . . . . 0.0 113.965 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -139.2 12.91 2.61 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.345 1.458 . . . . 0.0 113.442 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.55 147.93 28.76 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.222 1.809 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.94 140.41 28.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.052 -176.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.2 mt -69.01 167.46 15.87 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.965 0.888 . . . . 0.0 112.755 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.2 m -127.97 165.08 32.84 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 127.095 2.158 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.46 -24.09 59.31 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.03 1.82 . . . . 0.0 112.892 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.3 -33.13 67.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.391 1.476 . . . . 0.0 112.582 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -75.58 -30.17 59.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.418 1.087 . . . . 0.0 112.22 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.3 -40.22 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 110.397 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.46 -2.26 27.92 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.828 -1.17 . . . . 0.0 113.001 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -55.07 4.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.471 1.108 . . . . 0.0 112.944 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -26.48 67.9 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -174.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -16.93 43.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.06 -21.58 66.84 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -72.44 -16.36 61.82 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.612 1.165 . . . . 0.0 113.638 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -64.54 116.89 32.5 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.017 1.327 . . . . 0.0 113.076 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -72.75 -20.45 22.79 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.445 2.763 . . . . 0.0 113.195 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.83 158.03 8.25 Favored Glycine 0 CA--C 1.545 1.913 0 C-N-CA 125.997 1.761 . . . . 0.0 114.172 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.98 -22.86 54.84 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.975 3.117 . . . . 0.0 115.648 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 127.292 2.237 . . . . 0.0 114.699 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo . . . . . 0 CA--C 1.539 0.764 0 N-CA-C 114.927 1.087 . . . . 0.0 114.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 60.5 t30 -145.97 167.66 22.78 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.998 1.319 . . . . 0.0 112.459 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -71.28 -37.06 71.9 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.787 1.635 . . . . 0.0 113.262 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 71.8 p -74.13 158.33 34.39 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.204 1.002 . . . . 0.0 110.41 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2063 ' ' ILE . . . . . 0.521 HG22 ' CD ' ' A' 2096 ' ' GLN . 1.4 pp -123.41 171.87 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.504 1.121 . . . . 0.0 113.413 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 52.0 m -129.04 131.88 24.0 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.177 0.991 . . . . 0.0 112.945 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.47 -21.92 19.06 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.39 2.727 . . . . 0.0 113.495 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 33.1 p -73.73 -30.78 63.02 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.611 1.164 . . . . 0.0 113.605 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.71 73.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.987 0.812 . . . . 0.0 111.467 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.25 -44.29 79.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.514 1.526 . . . . 0.0 109.623 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.959 -0.463 . . . . 0.0 111.419 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.81 -33.78 76.81 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.359 1.064 . . . . 0.0 111.628 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.28 -49.17 72.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.95 -47.08 83.97 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -61.52 -26.96 68.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.411 1.005 . . . . 0.0 112.878 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 62.9 m -81.55 -42.27 20.4 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.952 1.301 . . . . 0.0 111.305 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 44.4 tp -56.73 -28.41 61.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.756 1.622 . . . . 0.0 113.007 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -59.71 -23.19 62.95 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.6 m -73.43 149.44 88.82 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.219 1.007 . . . . 0.0 111.011 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.32 153.94 73.93 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.959 2.439 . . . . 0.0 113.98 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 46.1 m -55.57 119.92 6.42 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.305 1.842 . . . . 0.0 113.42 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -166.84 161.69 11.28 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 125.25 1.42 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.72 -32.37 83.79 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.571 2.181 . . . . 0.0 111.788 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.96 -49.34 75.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.087 1.355 . . . . 0.0 111.033 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -62.2 -46.94 86.69 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.563 1.145 . . . . 0.0 110.747 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.98 -50.49 73.89 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.665 0.786 . . . . 0.0 111.607 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.31 -39.91 94.57 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.157 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -63.41 -47.35 82.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.037 1.289 . . . . 0.0 111.718 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.5 t -58.73 -43.71 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.894 0.77 . . . . 0.0 110.681 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.73 -40.29 95.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.797 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.57 -43.68 97.02 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.899 1.227 . . . . 0.0 110.779 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.7 -47.19 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.443 1.097 . . . . 0.0 109.86 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.23 -36.25 83.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.911 0.885 . . . . 0.0 112.781 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.67 -19.29 62.17 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.657 -1.277 . . . . 0.0 113.392 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.7 m -83.98 -4.21 58.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.381 1.073 . . . . 0.0 112.566 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.11 65.94 7.65 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 128.478 2.711 . . . . 0.0 107.933 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.7 -27.59 68.62 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.961 2.441 . . . . 0.0 113.967 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2096 ' ' GLN . . . . . 0.521 ' CD ' HG22 ' A' 2063 ' ' ILE . 0.0 OUTLIER -29.8 -71.53 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 128.847 2.859 . . . . 0.0 115.067 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2097 ' ' LEU . . . . . 0.502 ' H ' ' CG ' ' A' 2096 ' ' GLN . 3.3 pp -71.49 -34.7 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.254 2.222 . . . . 0.0 114.527 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 38.6 ttp -68.99 -45.09 71.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.72 0.691 . . . . 0.0 111.223 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.77 -46.1 91.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 111.665 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.73 84.46 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.527 -0.733 . . . . 0.0 112.037 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.37 -53.29 20.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.511 0.724 . . . . 0.0 111.946 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.14 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.367 0.985 . . . . 0.0 111.535 -177.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -58.04 -25.78 61.63 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.13 -37.44 9.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.363 1.065 . . . . 0.0 112.176 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -29.22 67.29 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.513 1.525 . . . . 0.0 113.385 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.6 t -57.17 -34.56 68.59 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.238 1.015 . . . . 0.0 112.127 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -61.16 -14.53 25.64 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.089 1.356 . . . . 0.0 113.674 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -119.97 2.32 10.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.995 2.118 . . . . 0.0 113.196 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.51 73.97 8.53 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 124.311 2.005 . . . . 0.0 112.687 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 57.8 t -142.09 131.39 23.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 128.616 2.766 . . . . 0.0 108.051 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -65.9 123.12 18.95 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 3.5 p30 -157.52 -176.03 5.72 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.488 1.915 . . . . 0.0 112.037 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -116.02 117.29 39.51 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.296 1.438 . . . . 0.0 108.879 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.08 -12.99 26.06 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.486 2.791 . . . . 0.0 115.428 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 87.13 1.68 84.19 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 22.2 ptt? -152.24 176.53 11.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.715 1.606 . . . . 0.0 111.64 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 . . . . . 0 N--CA 1.473 0.701 0 C-N-CA 125.105 1.362 . . . . 0.0 112.757 179.702 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.539 0.731 0 N-CA-C 114.192 0.805 . . . . 0.0 114.192 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -145.34 168.87 19.43 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.024 1.73 . . . . 0.0 112.211 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -66.43 123.35 19.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.702 0.801 . . . . 0.0 112.174 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -58.99 -15.36 12.74 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -81.29 -3.1 51.49 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.538 1.135 . . . . 0.0 113.368 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -79.25 147.65 32.47 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.077 -1.014 . . . . 0.0 113.317 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -40.01 -49.99 2.53 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.4 m -61.71 -36.69 81.64 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -87.6 -25.02 23.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.292 0.496 . . . . 0.0 112.08 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.14 -33.23 68.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.544 0.738 . . . . 0.0 110.621 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -69.33 -46.49 66.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.903 0.774 . . . . 0.0 111.62 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.69 -30.9 71.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 113.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.84 -17.68 64.47 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.783 1.233 . . . . 0.0 113.508 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 39.3 mt -114.78 64.43 1.56 Allowed Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 125.708 1.603 . . . . 0.0 115.124 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -81.45 -24.44 4.39 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 124.925 3.75 . . . . 0.0 114.625 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -20.46 55.87 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -173.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ASN . . . . . 0.405 ' HA ' HD23 ' B' ' 32' ' ' LEU . 0.6 OUTLIER -133.71 17.08 3.92 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.844 1.258 . . . . 0.0 112.703 -179.223 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.55 -19.31 49.78 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -173.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.22 -8.2 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 125.381 1.472 . . . . 0.0 113.922 -177.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 29' ' ' ASN . 4.0 mm? -76.95 172.0 13.88 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.387 2.675 . . . . 0.0 111.234 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 64.1 m -58.17 155.14 27.16 Favored Pre-proline 0 N--CA 1.476 0.848 0 C-N-CA 124.652 1.181 . . . . 0.0 112.031 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -59.87 -26.54 82.61 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.253 2.636 . . . . 0.0 116.375 -176.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -149.41 145.18 18.8 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 124.247 1.019 . . . . 0.0 112.83 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.85 -29.47 1.29 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.484 2.789 . . . . 0.0 113.973 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.0 t -157.16 -174.2 4.8 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.423 1.889 . . . . 0.0 110.318 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -71.48 26.41 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.501 2.32 . . . . 0.0 114.381 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.02 -12.17 1.35 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.097 2.559 . . . . 0.0 117.278 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 74.0 mtp -111.53 21.59 15.99 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.683 1.193 . . . . 0.0 113.174 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -46.89 -40.91 14.97 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -145.07 36.33 1.12 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.131 0.973 . . . . 0.0 113.216 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 pp -143.2 158.56 43.51 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.856 1.262 . . . . 0.0 112.288 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 21.6 tpp -158.06 161.19 38.0 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.181 1.392 . . . . 0.0 111.089 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.02 127.13 31.79 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.822 0.849 . . . . 0.0 110.775 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -83.38 163.55 49.47 Favored Pre-proline 0 N--CA 1.47 0.557 0 C-N-CA 125.371 1.468 . . . . 0.0 110.824 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.9 -27.39 84.72 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 121.735 1.623 . . . . 0.0 111.172 175.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -36.01 76.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.603 1.961 . . . . 0.0 112.897 175.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.57 -30.92 69.8 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.566 -0.709 . . . . 0.0 111.608 176.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mt -79.82 -40.35 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.755 1.222 . . . . 0.0 111.492 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.21 -0.24 16.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.566 -1.334 . . . . 0.0 113.512 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -51.19 7.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.859 1.264 . . . . 0.0 114.022 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -25.38 62.46 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.03 -9.98 51.74 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -57.45 -26.1 60.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -81.82 -9.78 59.51 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.192 1.397 . . . . 0.0 113.479 177.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -156.01 70.49 5.15 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.67 1.988 . . . . 0.0 110.657 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -66.77 -13.19 38.97 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 124.02 3.146 . . . . 0.0 115.871 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.48 165.9 26.65 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.614 1.102 . . . . 0.0 113.714 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.55 -14.95 27.64 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 123.88 3.054 . . . . 0.0 114.218 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 125.885 1.674 . . . . 0.0 111.752 179.751 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo . . . . . 0 CA--C 1.538 0.694 0 N-CA-C 114.583 0.955 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -71.76 115.3 10.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.797 1.239 . . . . 0.0 109.517 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -141.16 173.34 11.58 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.603 1.561 . . . . 0.0 112.093 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 49.9 m -121.41 -171.75 2.28 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.265 1.826 . . . . 0.0 111.711 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 44.8 pt -131.31 172.01 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.654 1.581 . . . . 0.0 111.366 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -132.79 148.84 71.08 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.451 1.1 . . . . 0.0 113.12 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.84 -25.59 32.96 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.657 2.905 . . . . 0.0 114.259 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.1 p -58.27 -36.51 73.37 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.769 1.628 . . . . 0.0 113.186 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.68 -41.9 82.51 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.634 1.173 . . . . 0.0 112.736 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -34.64 76.21 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.059 0.544 . . . . 0.0 111.502 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.21 -40.43 82.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.899 -0.5 . . . . 0.0 110.374 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.2 -34.39 77.92 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.792 0.837 . . . . 0.0 111.151 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.55 -44.01 83.51 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.407 -0.808 . . . . 0.0 109.974 175.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.66 -48.63 80.91 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.717 0.69 . . . . 0.0 111.595 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -63.19 -35.0 78.85 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.383 0.992 . . . . 0.0 111.871 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.4 m -62.11 -48.53 79.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.22 1.008 . . . . 0.0 110.361 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.18 -37.61 88.1 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.736 0.815 . . . . 0.0 112.094 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -63.31 -35.48 80.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.6 0.76 . . . . 0.0 112.706 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.9 m -70.62 152.25 95.32 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 110.662 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.51 152.48 80.02 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.949 2.433 . . . . 0.0 114.501 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 14.0 p -61.85 133.66 55.74 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.038 1.735 . . . . 0.0 114.356 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 92.3 p -168.77 161.3 8.37 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 126.574 1.95 . . . . 0.0 110.44 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.63 -34.9 75.48 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.668 2.245 . . . . 0.0 111.83 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -66.59 -39.95 88.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.756 1.222 . . . . 0.0 111.506 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -45.04 87.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.414 0.686 . . . . 0.0 111.065 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -61.11 -44.7 96.95 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.228 1.011 . . . . 0.0 110.58 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.1 -36.86 85.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.965 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -58.32 -40.48 82.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.194 0.906 . . . . 0.0 111.849 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 92.1 t -60.89 -46.66 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.81 0.732 . . . . 0.0 109.972 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.92 -36.84 77.87 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.828 0.74 . . . . 0.0 111.955 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -63.06 -47.62 82.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.365 0.984 . . . . 0.0 110.923 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.46 -46.12 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.462 1.505 . . . . 0.0 110.595 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.36 -43.62 85.48 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.055 0.942 . . . . 0.0 111.842 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -66.17 -19.63 65.89 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.955 1.252 . . . . 0.0 113.388 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.5 m -80.26 -8.55 59.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.01 0.924 . . . . 0.0 111.873 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -140.33 62.74 20.69 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 127.681 2.392 . . . . 0.0 109.405 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -56.33 -28.66 73.22 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.144 2.563 . . . . 0.0 115.497 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -51.49 -48.15 62.99 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.938 1.295 . . . . 0.0 112.874 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.58 -32.6 36.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.0 ppp? -80.33 -37.86 31.7 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.624 1.102 . . . . 0.0 113.673 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.72 70.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.665 0.666 . . . . 0.0 112.028 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.46 -42.39 78.83 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.998 -0.439 . . . . 0.0 111.002 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.75 -52.87 63.27 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 111.979 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -37.89 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.089 0.858 . . . . 0.0 113.244 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -52.86 -32.77 46.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.304 0.956 . . . . 0.0 113.129 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -95.3 -40.72 9.4 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.805 0.842 . . . . 0.0 111.349 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -61.65 -30.98 71.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.0 t -55.46 -31.69 62.17 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.41 1.005 . . . . 0.0 112.775 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.88 58.97 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.042 1.337 . . . . 0.0 113.924 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -135.2 14.29 3.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.661 2.384 . . . . 0.0 113.433 -176.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.05 4.57 0.64 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 -175.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 9.7 p -56.61 -22.21 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.974 1.71 . . . . 0.0 113.159 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -56.22 -19.99 16.26 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.951 1.7 . . . . 0.0 114.631 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -123.27 19.31 9.83 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.291 1.437 . . . . 0.0 112.294 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -134.63 155.99 79.08 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.674 1.189 . . . . 0.0 112.457 -173.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.32 14.71 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.32 0 C-N-CA 124.263 3.308 . . . . 0.0 115.138 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -87.49 -8.64 73.76 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.99 1.281 . . . . 0.0 115.478 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.1 173.44 10.07 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.724 1.262 . . . . 0.0 113.389 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 125.119 1.368 . . . . 0.0 112.579 -179.684 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 CA--C 1.538 0.698 0 N-CA-C 113.97 0.719 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.75 171.57 13.87 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.17 1.788 . . . . 0.0 112.441 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -142.13 165.11 28.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.251 1.82 . . . . 0.0 110.92 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.69 9.07 0.07 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -118.62 7.52 11.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.042 2.137 . . . . 0.0 111.856 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p -99.11 156.75 16.78 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.393 1.077 . . . . 0.0 113.367 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -54.01 -40.03 66.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.524 0.73 . . . . 0.0 112.247 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -60.85 -35.5 76.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.385 1.074 . . . . 0.0 112.773 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -77.39 -30.85 53.85 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.71 -40.31 72.24 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.707 -0.621 . . . . 0.0 110.7 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -67.21 -15.68 63.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -88.65 -31.6 18.46 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.138 0.975 . . . . 0.0 111.078 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.26 -47.15 36.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.517 1.127 . . . . 0.0 112.939 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.36 -54.26 55.0 Favored Pre-proline 0 CA--C 1.551 0.984 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . 0.264 28.9 Cg_endo -61.59 9.69 0.08 OUTLIER 'Trans proline' 0 CA--C 1.538 0.688 1 C-N-CA 125.547 4.164 . . . . 0.0 119.238 -174.866 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.96 -16.72 32.48 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 120.673 1.579 . . . . 0.0 112.933 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -107.57 15.39 24.8 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.349 2.26 . . . . 0.0 112.718 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.25 6.82 3.08 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.404 1.881 . . . . 0.0 113.147 -177.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.82 -18.11 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.772 2.029 . . . . 0.0 116.234 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -133.69 -6.26 2.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 41.9 t -157.7 129.85 4.13 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 124.256 1.022 . . . . 0.0 111.656 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -86.58 3.93 6.56 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.515 3.477 . . . . 0.0 115.067 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.95 120.12 78.36 Favored Pre-proline 0 CA--C 1.554 1.123 0 O-C-N 120.426 -1.421 . . . . 0.0 112.721 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -83.42 179.14 5.19 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 124.267 3.311 . . . . 0.0 112.64 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 59.7 m -64.43 129.57 40.41 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.507 0.723 . . . . 0.0 109.381 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -73.48 15.89 0.23 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.58 -3.87 39.91 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.23 1.812 . . . . 0.0 115.542 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 52.6 mtp -70.4 51.05 0.13 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.673 1.989 . . . . 0.0 115.344 -177.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -64.29 -43.62 94.18 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.884 -1.135 . . . . 0.0 113.621 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -150.31 -20.11 0.24 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.75 139.19 58.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.276 1.43 . . . . 0.0 113.606 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttm -158.3 155.29 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.015 1.326 . . . . 0.0 111.865 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.53 167.95 8.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.965 1.306 . . . . 0.0 113.43 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.408 ' HB2' ' HD2' ' B' ' 47' ' ' PRO . 21.9 p -133.62 171.84 8.4 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 128.552 2.741 . . . . 0.0 110.602 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' B' ' 46' ' ' SER . 44.0 Cg_endo -62.5 -22.98 74.69 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 121.566 1.511 . . . . 0.0 112.495 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.0 -30.65 71.65 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.526 1.13 . . . . 0.0 111.863 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.28 -28.57 57.08 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.68 -36.06 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.89 0.73 50.07 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.459 -0.776 . . . . 0.0 112.77 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.12 -57.87 3.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.781 -1.199 . . . . 0.0 111.821 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -23.6 66.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -174.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.04 -13.64 35.52 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -15.59 62.09 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -63.1 -12.35 26.5 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.957 1.303 . . . . 0.0 113.73 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -122.17 76.26 41.71 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.545 1.938 . . . . 0.0 109.907 176.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -69.18 -27.53 29.13 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.342 2.695 . . . . 0.0 114.306 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.83 178.24 26.36 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.557 1.075 . . . . 0.0 114.452 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -76.77 -4.0 14.44 Favored 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 124.633 3.556 . . . . 0.0 114.46 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 125.865 1.666 . . . . 0.0 112.631 -179.02 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo . . . . . 0 CA--C 1.54 0.784 0 N-CA-C 114.586 0.956 . . . . 0.0 114.586 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 65.0 t30 -143.37 28.51 1.49 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.907 1.683 . . . . 0.0 112.263 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -59.31 126.17 26.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.298 1.839 . . . . 0.0 113.051 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 98.2 p -165.94 -169.18 1.43 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.438 1.895 . . . . 0.0 111.155 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2063 ' ' ILE . . . . . 0.404 ' CG2' HE21 ' A' 2096 ' ' GLN . 37.5 pt -136.03 161.54 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.933 1.693 . . . . 0.0 110.276 175.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 16.8 m -154.74 146.87 17.33 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.844 1.258 . . . . 0.0 111.502 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.79 -19.87 26.88 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.608 2.872 . . . . 0.0 113.612 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 35.4 p -57.74 -33.68 68.71 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.298 0.954 . . . . 0.0 112.788 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.28 67.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.425 1.09 . . . . 0.0 112.752 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.03 -46.07 68.88 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.967 0.907 . . . . 0.0 109.974 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.22 -38.71 91.26 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.493 -0.755 . . . . 0.0 110.837 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -37.94 88.02 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.522 0.729 . . . . 0.0 111.787 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.42 -49.09 75.12 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.646 0.778 . . . . 0.0 109.286 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.49 -47.34 84.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.284 0.633 . . . . 0.0 112.402 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -62.97 -27.24 69.26 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.184 0.902 . . . . 0.0 112.916 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 91.5 m -79.07 -43.69 23.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.465 1.106 . . . . 0.0 110.992 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.36 -33.45 74.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.148 1.779 . . . . 0.0 112.887 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 55.5 mttm -72.73 40.99 0.09 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.203 1.801 . . . . 0.0 114.411 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.7 m -147.1 168.69 10.8 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 128.138 2.575 . . . . 0.0 110.801 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -54.6 149.99 37.33 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.95 3.1 . . . . 0.0 114.738 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 74.6 m -73.09 126.7 30.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.371 1.068 . . . . 0.0 112.382 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.4 p -163.88 158.45 16.62 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 124.923 1.289 . . . . 0.0 111.909 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.89 -23.98 74.25 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 121.888 1.725 . . . . 0.0 111.633 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.82 -42.36 77.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.181 0.992 . . . . 0.0 110.61 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.86 -45.97 91.46 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.681 -0.637 . . . . 0.0 109.824 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.53 -45.27 89.22 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.21 0.604 . . . . 0.0 110.788 176.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.15 -42.69 91.3 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.54 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -63.9 -42.61 97.39 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.893 1.224 . . . . 0.0 111.908 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 76.9 t -62.1 -42.5 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.332 0.969 . . . . 0.0 110.355 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.76 -39.32 93.8 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.405 -0.81 . . . . 0.0 111.379 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.86 -44.07 97.52 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.403 1.001 . . . . 0.0 110.514 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 56.0 mt -63.93 -42.17 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.426 1.491 . . . . 0.0 110.922 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 -36.1 69.17 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.324 1.05 . . . . 0.0 113.11 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.22 -24.8 60.43 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.752 1.221 . . . . 0.0 113.969 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.8 m -78.61 -6.77 56.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.462 1.105 . . . . 0.0 113.325 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -146.79 64.68 9.4 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 127.615 2.366 . . . . 0.0 109.356 -178.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -62.07 -23.54 75.75 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.506 2.804 . . . . 0.0 115.673 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2096 ' ' GLN . . . . . 0.404 HE21 ' CG2' ' A' 2063 ' ' ILE . 4.5 mp0 -45.87 -47.64 16.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.148 1.379 . . . . 0.0 113.562 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.01 -34.71 24.25 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 7.4 ptm -80.17 -34.64 37.38 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.489 1.04 . . . . 0.0 113.317 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.77 81.75 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.387 0.54 . . . . 0.0 111.764 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.08 83.14 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.617 -0.677 . . . . 0.0 111.499 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.77 -52.94 61.25 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.637 0.375 . . . . 0.0 111.862 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -43.24 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 118.937 0.79 . . . . 0.0 111.846 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -63.07 -14.84 53.22 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.71 -41.74 7.55 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.495 1.118 . . . . 0.0 110.346 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -58.0 -42.04 84.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.404 1.882 . . . . 0.0 112.052 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.1 t -58.17 -30.09 66.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.173 1.389 . . . . 0.0 113.937 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.39 75.07 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.095 -1.003 . . . . 0.0 112.975 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 26.9 tptp -89.7 -18.31 26.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.521 1.128 . . . . 0.0 112.136 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.65 21.99 0.14 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.329 2.252 . . . . 0.0 114.458 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 21.7 t -99.33 69.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.831 1.652 . . . . 0.0 109.0 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -145.14 -6.87 0.64 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -146.65 126.5 13.54 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.549 1.54 . . . . 0.0 109.341 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -159.0 147.15 13.71 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.188 1.395 . . . . 0.0 111.644 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.21 -19.58 13.39 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.467 2.778 . . . . 0.0 113.681 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -79.39 75.21 2.12 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.696 1.617 . . . . 0.0 113.063 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 70.5 mtm -130.46 157.01 43.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.895 1.278 . . . . 0.0 112.691 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 125.347 1.459 . . . . 0.0 112.094 177.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo . . . . . 0 CA--C 1.539 0.731 0 N-CA-C 114.152 0.789 . . . . 0.0 114.152 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.15 176.13 11.11 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.358 1.863 . . . . 0.0 111.623 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -135.85 157.06 47.79 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 15.27 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.497 2.319 . . . . 0.0 115.9 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -128.4 19.3 6.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.142 2.177 . . . . 0.0 110.976 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.9 p -130.88 -171.4 2.56 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.45 1.9 . . . . 0.0 111.748 -176.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.55 -34.04 3.1 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.703 1.601 . . . . 0.0 113.985 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -53.99 -36.64 63.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.526 1.13 . . . . 0.0 113.338 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.06 -26.33 27.05 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.56 -38.77 88.68 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.755 -0.591 . . . . 0.0 109.675 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -66.12 -20.95 66.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -83.02 -6.34 59.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.531 1.133 . . . . 0.0 112.407 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -119.14 -45.39 2.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.552 1.541 . . . . 0.0 112.481 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.54 -50.78 74.87 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.36 -9.33 0.12 Allowed 'Trans proline' 0 CA--C 1.536 0.586 1 C-N-CA 125.792 4.328 . . . . 0.0 118.36 -175.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.93 -26.75 68.96 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.405 1.457 . . . . 0.0 112.893 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.7 -5.37 55.85 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.053 1.341 . . . . 0.0 113.595 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.72 139.87 40.63 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.312 -0.868 . . . . 0.0 112.415 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.8 t -155.12 122.98 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 127.837 2.455 . . . . 0.0 104.816 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -111.74 133.96 53.62 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 126.196 1.798 . . . . 0.0 111.582 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.9 p -162.32 -179.09 0.95 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 127.528 2.331 . . . . 0.0 108.749 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.78 -11.97 33.86 Favored 'Trans proline' 0 CA--C 1.549 1.264 0 CA-C-N 122.137 1.799 . . . . 0.0 113.269 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -137.3 74.2 48.79 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 127.039 2.136 . . . . 0.0 110.088 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.07 -29.39 22.46 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.896 2.397 . . . . 0.0 113.149 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.8 t -161.19 141.4 10.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.066 1.746 . . . . 0.0 110.118 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -99.57 1.92 44.22 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.882 0.873 . . . . 0.0 112.655 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.72 -26.64 50.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.747 1.219 . . . . 0.0 112.944 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.4 -1.56 0.8 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.248 2.219 . . . . 0.0 115.061 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -59.34 -32.88 70.5 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.18 2.192 . . . . 0.0 115.01 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -146.95 16.94 1.23 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp -144.03 155.94 44.19 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.898 -1.126 . . . . 0.0 113.723 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.5 tpp -160.51 166.98 28.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.22 1.808 . . . . 0.0 110.687 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.02 175.21 1.27 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.235 1.414 . . . . 0.0 113.285 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -131.98 160.87 65.89 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 128.083 2.553 . . . . 0.0 110.014 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -56.08 -22.62 40.19 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.138 1.892 . . . . 0.0 112.014 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.19 -35.76 74.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 112.393 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.44 -30.3 68.19 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.006 0.922 . . . . 0.0 111.765 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 11.0 mt -77.71 -45.56 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.477 1.111 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.29 -5.29 38.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.48 -0.762 . . . . 0.0 112.979 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -59.99 2.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.794 1.238 . . . . 0.0 112.628 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -26.43 68.1 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -172.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -10.28 49.08 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -24.3 25.86 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -174.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.26 162.65 14.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.27 165.08 20.01 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 128.687 2.795 . . . . 0.0 109.123 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.06 -16.43 52.27 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.94 3.093 . . . . 0.0 114.865 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.09 63.2 0.08 OUTLIER Glycine 0 CA--C 1.538 1.515 0 CA-C-O 118.569 -1.128 . . . . 0.0 114.012 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -78.59 -169.37 0.77 Allowed 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.154 3.236 . . . . 0.0 111.714 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 126.176 1.79 . . . . 0.0 112.838 179.072 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 CA--C 1.542 0.921 0 N-CA-C 114.035 0.744 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 62.6 t30 -138.24 26.07 2.67 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.912 1.685 . . . . 0.0 112.678 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.54 179.15 7.88 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.258 1.423 . . . . 0.0 113.751 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 8.3 t -137.75 -161.18 1.14 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.848 2.059 . . . . 0.0 110.089 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 39.2 pt -126.0 161.49 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.344 1.457 . . . . 0.0 112.371 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 75.0 m -141.33 139.83 19.67 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.29 1.436 . . . . 0.0 110.419 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -64.3 -25.71 64.23 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.1 2.533 . . . . 0.0 113.694 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.4 p -65.01 -35.13 80.19 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.923 1.289 . . . . 0.0 113.464 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.8 74.02 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.678 -0.639 . . . . 0.0 112.237 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.9 -34.99 74.26 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.538 -0.727 . . . . 0.0 110.356 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.88 -34.24 76.28 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.502 -0.748 . . . . 0.0 110.069 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.68 -31.04 71.46 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.157 0.983 . . . . 0.0 111.213 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.6 tt -68.09 -39.39 82.89 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.797 -1.19 . . . . 0.0 109.349 172.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.77 -41.21 99.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.421 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -59.75 -31.24 69.46 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.141 1.791 . . . . 0.0 111.743 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 36.2 m -72.84 -42.77 63.41 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.258 1.423 . . . . 0.0 110.238 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.59 -40.62 97.48 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.857 1.263 . . . . 0.0 111.575 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -71.6 6.86 1.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.548 1.539 . . . . 0.0 113.878 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.8 m -121.69 150.62 55.71 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.283 1.833 . . . . 0.0 110.825 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -69.35 152.18 71.42 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.293 2.662 . . . . 0.0 114.435 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.0 m -61.05 136.9 58.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.685 1.594 . . . . 0.0 114.013 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 79.4 p -166.09 164.0 11.59 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.827 2.051 . . . . 0.0 109.724 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.01 -32.97 88.07 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.362 2.042 . . . . 0.0 111.711 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -68.86 -44.26 73.69 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.231 . . . . 0.0 110.784 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.54 98.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.812 0.845 . . . . 0.0 111.049 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.34 -47.01 85.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.42 1.088 . . . . 0.0 110.533 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -64.92 -38.82 92.24 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.901 -0.499 . . . . 0.0 112.019 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -57.96 -48.03 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.371 0.987 . . . . 0.0 111.354 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 93.3 t -57.5 -49.75 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.703 0.683 . . . . 0.0 110.315 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.28 -42.89 96.41 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.86 -47.76 81.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.256 0.934 . . . . 0.0 111.732 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 70.4 mt -62.4 -43.13 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 110.834 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.7 mt -66.73 -46.56 75.07 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.612 -0.68 . . . . 0.0 111.394 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -63.35 -19.57 64.75 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.133 -0.979 . . . . 0.0 113.307 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 59.9 m -78.17 -7.93 57.67 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.102 0.961 . . . . 0.0 111.968 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -137.44 58.02 15.92 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 127.33 2.252 . . . . 0.0 110.863 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.35 -35.43 44.37 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 123.688 2.926 . . . . 0.0 115.967 -175.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -52.23 -48.68 65.02 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.207 1.403 . . . . 0.0 112.928 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -35.34 23.93 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -73.13 -36.14 66.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.477 1.035 . . . . 0.0 113.451 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.9 83.94 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.975 0.807 . . . . 0.0 111.795 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.99 62.73 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 122.035 -0.416 . . . . 0.0 110.325 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.83 -52.86 63.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.145 0.978 . . . . 0.0 113.508 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2102 ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -58.37 -42.31 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.932 0.787 . . . . 0.0 110.745 -179.163 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -66.16 -26.07 67.25 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.021 -1.049 . . . . 0.0 113.259 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.71 -43.54 62.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.931 1.241 . . . . 0.0 109.569 171.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -45.05 89.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.164 1.786 . . . . 0.0 112.717 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 1.8 t -61.76 -38.33 87.6 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.316 1.447 . . . . 0.0 113.05 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.28 -11.91 17.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.361 1.064 . . . . 0.0 113.204 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.78 19.5 6.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.251 2.621 . . . . 0.0 112.068 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 1.1 t80 -138.22 30.47 2.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.889 2.476 . . . . 0.0 111.648 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 9.9 p -119.22 19.85 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 127.236 2.214 . . . . 0.0 111.32 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -62.37 165.92 5.57 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.536 1.934 . . . . 0.0 114.631 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -57.27 149.39 20.22 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.925 1.29 . . . . 0.0 112.067 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -107.31 150.8 40.45 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.486 1.114 . . . . 0.0 112.515 -177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -56.14 157.48 17.25 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.771 2.981 . . . . 0.0 113.504 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -164.68 53.24 0.28 Allowed Glycine 0 N--CA 1.472 1.08 0 C-N-CA 123.633 0.635 . . . . 0.0 114.054 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 92.4 mtp -134.01 161.85 33.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.19 1.396 . . . . 0.0 112.221 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 125.249 1.419 . . . . 0.0 112.455 179.733 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo . . . . . 0 CA--C 1.541 0.865 0 N-CA-C 113.736 0.629 . . . . 0.0 113.736 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -134.9 178.52 6.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.303 2.241 . . . . 0.0 111.403 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -57.95 133.13 55.21 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.248 -0.908 . . . . 0.0 113.348 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -80.99 43.77 0.72 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.689 1.595 . . . . 0.0 113.477 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -142.07 1.12 1.42 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.127 2.171 . . . . 0.0 112.754 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p -85.43 -176.37 6.08 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.787 2.035 . . . . 0.0 111.847 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.54 -36.3 10.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -64.06 -23.69 67.42 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.434 1.094 . . . . 0.0 113.903 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -90.83 -28.32 18.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.193 0.997 . . . . 0.0 111.281 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.52 -32.94 69.31 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.425 -0.797 . . . . 0.0 111.595 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -64.44 -32.14 73.64 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.853 0.751 . . . . 0.0 112.302 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -84.4 -30.33 25.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.887 1.675 . . . . 0.0 113.587 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.01 -27.05 68.04 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 mt -57.81 112.04 4.26 Favored Pre-proline 0 CA--C 1.552 1.036 0 CA-C-N 119.99 1.268 . . . . 0.0 111.585 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -89.68 -16.97 1.85 Allowed 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.328 2.686 . . . . 0.0 115.563 -175.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -119.79 -5.48 10.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.77 25.39 3.08 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.006 1.723 . . . . 0.0 109.932 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -55.29 -42.49 73.68 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.669 1.188 . . . . 0.0 113.243 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.31 -18.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 128.267 2.627 . . . . 0.0 113.245 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.419 ' H ' HD22 ' B' ' 32' ' ' LEU . 2.3 mm? -67.67 169.65 9.1 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.078 2.151 . . . . 0.0 112.716 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 45.8 p -136.31 51.13 4.71 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.389 1.476 . . . . 0.0 114.062 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.44 -25.43 11.2 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 123.05 2.5 . . . . 0.0 114.493 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.93 150.8 95.1 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 123.955 0.902 . . . . 0.0 112.648 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -48.44 170.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 125.434 4.089 . . . . 0.0 118.785 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -62.66 -8.12 6.02 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.703 2.401 . . . . 0.0 115.598 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -55.52 138.33 46.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.581 1.552 . . . . 0.0 113.029 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.49 -160.7 1.08 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.964 1.706 . . . . 0.0 110.127 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 10.1 mtp -76.3 31.71 0.12 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.242 1.417 . . . . 0.0 113.76 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.38 -33.16 69.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.986 1.715 . . . . 0.0 115.48 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -147.21 26.22 1.08 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.706 1.202 . . . . 0.0 113.034 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.62 157.77 42.6 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.986 1.314 . . . . 0.0 113.279 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -155.16 147.05 23.43 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.266 1.426 . . . . 0.0 111.376 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.7 163.35 19.26 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.359 1.064 . . . . 0.0 112.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.3 m -131.0 155.93 80.86 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 126.594 1.958 . . . . 0.0 110.138 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.28 -25.21 79.61 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.722 2.282 . . . . 0.0 113.808 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.92 -35.01 74.0 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.041 0.936 . . . . 0.0 112.555 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.61 -28.88 64.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.099 0.96 . . . . 0.0 111.639 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 21.8 mt -82.55 -42.13 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.198 1.399 . . . . 0.0 111.364 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.08 -2.83 13.97 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.263 -1.523 . . . . 0.0 113.587 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -44.35 20.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.951 1.3 . . . . 0.0 113.897 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -18.34 55.14 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -9.2 50.92 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.6 t -57.98 -23.83 55.56 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.184 1.394 . . . . 0.0 114.699 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -72.35 13.14 0.36 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.058 1.743 . . . . 0.0 114.799 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -125.99 70.43 67.42 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.694 1.998 . . . . 0.0 110.238 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.73 -23.35 19.44 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.895 3.063 . . . . 0.0 115.591 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -179.16 40.92 Favored Glycine 0 CA--C 1.539 1.59 0 CA-C-N 119.252 0.933 . . . . 0.0 114.649 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.23 -18.58 23.38 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.151 3.234 . . . . 0.0 114.297 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 125.725 1.61 . . . . 0.0 111.888 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 0 CA--C 1.538 0.703 0 N-CA-C 114.795 1.036 . . . . 0.0 114.795 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -73.13 -12.77 61.02 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -144.52 165.38 28.13 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.614 1.966 . . . . 0.0 111.889 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 84.4 p -116.0 -7.17 11.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.917 1.687 . . . . 0.0 115.044 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 3.9 pt -158.17 162.51 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 129.352 3.061 . . . . 0.0 108.858 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -125.21 142.68 42.12 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.67 -18.68 37.3 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.656 2.904 . . . . 0.0 113.013 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 18.1 p -54.27 -35.53 62.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.426 1.09 . . . . 0.0 112.134 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.88 62.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.286 1.435 . . . . 0.0 113.233 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.6 mp -68.43 -43.32 77.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.018 0.927 . . . . 0.0 110.408 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -68.45 -42.5 78.74 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.947 -0.47 . . . . 0.0 110.841 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -63.64 -35.86 81.92 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.771 -0.581 . . . . 0.0 111.965 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.84 -49.9 68.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.199 -0.938 . . . . 0.0 109.322 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.79 -39.33 88.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.483 -0.77 . . . . 0.0 112.838 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -67.39 -31.65 72.01 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.221 1.373 . . . . 0.0 111.658 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.3 m -72.0 -38.3 69.68 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.884 1.274 . . . . 0.0 111.514 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.08 -36.39 70.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.342 1.457 . . . . 0.0 111.334 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.49 -26.51 65.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.2 m -64.81 154.9 84.53 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.189 0.996 . . . . 0.0 113.165 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -72.55 169.0 22.88 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.817 2.345 . . . . 0.0 111.027 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.7 m -62.99 97.26 0.1 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.862 1.265 . . . . 0.0 110.843 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 46.4 p -148.52 159.18 39.3 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -67.79 -18.92 47.53 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.366 2.044 . . . . 0.0 111.631 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -68.27 -40.13 81.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.294 -0.879 . . . . 0.0 110.048 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -63.94 -42.75 97.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.524 0.73 . . . . 0.0 110.52 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -56.59 -49.21 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.843 0.857 . . . . 0.0 110.404 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.81 -41.97 92.46 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.16 0.436 . . . . 0.0 111.509 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -63.04 -44.33 96.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.21 0.913 . . . . 0.0 112.385 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.9 t -58.33 -45.89 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.626 0.648 . . . . 0.0 109.843 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.24 -41.76 98.71 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.635 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -57.29 -46.98 82.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.515 1.507 . . . . 0.0 111.466 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.0 -49.11 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.927 1.291 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.79 -39.43 80.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.819 0.847 . . . . 0.0 113.176 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -67.78 -16.68 64.24 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.773 1.17 . . . . 0.0 112.696 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 51.3 m -88.93 -8.89 53.33 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.715 1.206 . . . . 0.0 111.812 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -140.81 53.79 4.12 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 127.389 2.275 . . . . 0.0 110.057 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.84 -20.38 66.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.946 2.43 . . . . 0.0 115.121 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -55.02 -46.65 75.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.204 1.402 . . . . 0.0 111.546 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.58 -28.52 28.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.72 0.808 . . . . 0.0 112.777 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 47.6 ttp -69.72 -48.55 59.09 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.96 0.8 . . . . 0.0 112.535 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.27 70.63 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.934 -0.479 . . . . 0.0 111.311 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.15 -53.08 13.77 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.98 1.312 . . . . 0.0 112.818 178.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -47.24 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.834 0.854 . . . . 0.0 112.316 -176.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 24.8 mttt -62.52 -18.21 61.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.03 -41.29 7.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 110.742 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.96 -38.62 86.56 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.148 1.779 . . . . 0.0 112.62 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 11.8 t -54.18 -29.19 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.108 0.963 . . . . 0.0 113.121 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.46 58.03 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -122.67 -7.27 8.56 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.789 2.036 . . . . 0.0 113.486 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 22.9 t80 -120.72 19.06 11.9 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.941 1.696 . . . . 0.0 114.661 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 4.1 p -65.27 -30.37 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.687 1.195 . . . . 0.0 111.36 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -76.49 149.61 36.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.117 1.367 . . . . 0.0 112.76 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.02 178.67 2.62 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.482 1.513 . . . . 0.0 112.777 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.78 149.43 22.56 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.497 1.119 . . . . 0.0 111.833 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.15 -2.99 12.87 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 123.801 3.0 . . . . 0.0 115.305 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 120.44 -12.99 10.23 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 125.157 1.36 . . . . 0.0 114.769 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 18.9 ptp -68.42 174.81 3.78 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.628 1.171 . . . . 0.0 113.44 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 . . . . . 0 C--O 1.24 0.587 0 C-N-CA 125.24 1.416 . . . . 0.0 111.793 -179.064 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 CA--C 1.541 0.855 0 N-CA-C 113.512 0.543 . . . . 0.0 113.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -133.61 -9.77 2.8 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.432 1.893 . . . . 0.0 114.029 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 13.9 m -167.34 161.07 13.97 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.672 2.789 . . . . 0.0 108.927 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -131.47 20.33 4.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.038 0.935 . . . . 0.0 112.66 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.08 6.49 8.56 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.034 2.134 . . . . 0.0 112.043 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -99.18 -151.29 0.39 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 128.541 2.737 . . . . 0.0 109.28 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -46.02 -33.01 3.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.244 1.417 . . . . 0.0 113.608 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.0 t -56.78 -33.01 66.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.259 1.424 . . . . 0.0 113.448 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.43 -25.78 51.01 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.145 0.978 . . . . 0.0 113.341 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.4 -37.54 87.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.058 0.543 . . . . 0.0 110.684 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -59.26 -27.78 66.12 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -74.99 -23.06 58.2 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.663 1.185 . . . . 0.0 112.207 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt -106.0 -43.32 4.88 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -174.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.01 -46.29 53.55 Favored Pre-proline 0 N--CA 1.481 1.092 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.61 -10.11 0.8 Allowed 'Trans proline' 0 CA--C 1.54 0.787 1 C-N-CA 125.948 4.432 . . . . 0.0 117.336 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -62.26 -28.89 70.02 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.122 1.328 . . . . 0.0 112.864 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -70.13 -32.31 70.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.045 0.938 . . . . 0.0 110.755 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 58.79 -174.82 0.09 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 128.721 2.808 . . . . 0.0 114.519 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -96.74 -18.74 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.733 1.213 . . . . 0.0 113.422 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.84 3.77 3.92 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.559 1.943 . . . . 0.0 115.131 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 91.0 p -59.3 153.51 47.48 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.044 1.337 . . . . 0.0 113.023 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -68.31 -21.53 41.23 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.788 2.325 . . . . 0.0 113.815 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 64.4 mt -82.29 120.77 77.75 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.422 1.089 . . . . 0.0 110.974 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.11 175.96 10.31 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.639 2.892 . . . . 0.0 113.399 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m -61.97 -13.02 21.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.604 1.962 . . . . 0.0 115.283 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -70.92 12.64 0.26 Allowed 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.637 1.718 . . . . 0.0 115.637 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.78 -21.99 66.27 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.681 1.593 . . . . 0.0 114.47 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 5.1 mmt -82.03 35.46 0.43 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.511 1.924 . . . . 0.0 113.835 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -58.66 -38.72 78.77 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -147.93 26.52 1.0 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.51 1.124 . . . . 0.0 113.529 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.92 154.81 43.72 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.497 1.519 . . . . 0.0 111.878 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -157.73 155.84 30.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.712 1.605 . . . . 0.0 110.957 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 146.71 9.1 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.464 1.506 . . . . 0.0 113.565 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -150.82 169.44 9.26 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 127.401 2.281 . . . . 0.0 111.097 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.24 -28.18 51.03 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.934 2.423 . . . . 0.0 114.216 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.11 -35.49 71.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.051 1.34 . . . . 0.0 112.954 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.38 -30.0 66.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.978 0.911 . . . . 0.0 111.876 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 mt -81.76 -46.29 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.171 1.388 . . . . 0.0 111.722 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.56 -2.67 17.78 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -81.26 -60.06 2.42 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.11 1.364 . . . . 0.0 111.91 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -22.43 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -174.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -10.58 59.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.281 -0.887 . . . . 0.0 113.288 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.28 -13.48 58.41 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.172 1.389 . . . . 0.0 113.978 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -54.12 145.3 17.41 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -136.45 140.66 33.1 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.434 1.894 . . . . 0.0 110.302 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.2 -11.64 32.98 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.065 3.176 . . . . 0.0 116.56 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.57 59.71 0.18 Allowed Glycine 0 CA--C 1.538 1.513 0 CA-C-N 120.564 1.529 . . . . 0.0 116.478 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.19 -17.65 24.31 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 123.28 2.653 . . . . 0.0 113.559 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t0 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 126.216 1.806 . . . . 0.0 111.751 179.806 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo . . . . . 0 CA--C 1.539 0.726 0 N-CA-C 114.429 0.896 . . . . 0.0 114.429 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -53.56 -15.75 1.26 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 49.3 tpt85 -119.17 -3.69 10.57 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.445 1.898 . . . . 0.0 113.188 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 27.6 m -92.17 171.93 8.76 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.151 1.78 . . . . 0.0 113.252 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.5 pt -143.74 163.85 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 127.241 2.216 . . . . 0.0 109.267 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -128.67 136.19 28.75 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.031 0.932 . . . . 0.0 111.899 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.42 -22.17 39.55 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.939 2.426 . . . . 0.0 113.607 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.7 p -56.8 -33.88 67.13 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.366 0.985 . . . . 0.0 112.682 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.08 -31.6 69.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.962 1.305 . . . . 0.0 113.01 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.78 -42.09 77.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.863 0.865 . . . . 0.0 109.657 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -37.62 88.08 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.426 -0.797 . . . . 0.0 110.845 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -65.69 -36.13 82.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.6 -0.688 . . . . 0.0 112.102 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.55 -45.11 95.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.291 -0.881 . . . . 0.0 109.651 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.2 -44.56 95.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.772 -0.632 . . . . 0.0 112.319 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -63.13 -35.08 79.1 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.821 1.191 . . . . 0.0 111.645 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.2 m -66.56 -46.16 76.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.429 1.091 . . . . 0.0 110.528 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.93 -39.85 93.48 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -70.28 -16.2 62.99 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.0 m -82.98 157.71 65.86 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.611 1.164 . . . . 0.0 110.167 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.0 145.91 80.93 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.591 2.194 . . . . 0.0 113.698 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 52.8 m -64.0 132.68 51.35 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.596 . . . . 0.0 113.993 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 86.4 p -168.37 162.69 8.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 126.206 1.802 . . . . 0.0 110.856 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.12 -34.26 77.59 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.644 2.229 . . . . 0.0 111.725 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -67.96 -37.68 81.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.73 1.212 . . . . 0.0 111.291 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -66.67 -42.95 85.76 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.338 -0.851 . . . . 0.0 111.053 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.13 -46.58 87.99 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.824 0.85 . . . . 0.0 109.72 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.66 -37.03 77.63 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.131 0.972 . . . . 0.0 112.199 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -62.1 -43.21 99.34 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.245 1.384 . . . . 0.0 112.31 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 75.2 t -62.27 -42.59 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.474 1.034 . . . . 0.0 110.035 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.97 -39.28 88.96 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -62.17 -46.37 89.27 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.941 1.246 . . . . 0.0 111.183 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 65.1 mt -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.261 1.425 . . . . 0.0 110.341 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.48 -42.18 87.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.716 1.207 . . . . 0.0 112.0 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -63.42 -20.06 65.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.502 1.121 . . . . 0.0 112.998 176.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 46.5 m -87.06 -7.89 57.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.722 1.209 . . . . 0.0 112.174 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -141.17 57.37 7.54 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 128.036 2.534 . . . . 0.0 109.198 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.39 -21.9 69.32 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.187 2.591 . . . . 0.0 116.188 -171.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.55 -49.2 73.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.17 0.988 . . . . 0.0 112.096 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.72 -27.21 50.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 31.8 ttp -74.48 -49.35 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.609 0.763 . . . . 0.0 112.61 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.61 80.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.59 0.756 . . . . 0.0 112.006 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.72 87.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.5 0.72 . . . . 0.0 112.041 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 54.9 t80 -73.24 -52.7 13.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.715 0.806 . . . . 0.0 112.814 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -37.17 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.442 -0.786 . . . . 0.0 112.485 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -57.03 -23.59 47.52 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -98.64 -34.91 10.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.185 0.902 . . . . 0.0 111.942 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -63.16 -35.43 80.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.592 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 12.9 t -54.91 -34.11 62.8 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.039 0.836 . . . . 0.0 112.977 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -70.75 -9.89 58.29 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.701 1.201 . . . . 0.0 114.23 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -115.66 -8.84 12.04 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.648 1.979 . . . . 0.0 113.025 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.26 144.09 50.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.834 1.254 . . . . 0.0 110.663 177.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 38.2 t -130.5 101.06 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.527 1.131 . . . . 0.0 110.533 -177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -144.65 159.57 42.61 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.256 1.823 . . . . 0.0 110.965 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -61.76 151.31 34.41 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.29 0.636 . . . . 0.0 111.721 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -136.98 148.52 63.26 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.943 1.297 . . . . 0.0 111.753 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.92 157.28 16.98 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.925 3.084 . . . . 0.0 114.204 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 167.06 -5.11 0.05 OUTLIER Glycine 0 CA--C 1.54 1.617 0 N-CA-C 116.913 1.525 . . . . 0.0 116.913 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.34 -162.9 1.57 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.366 1.466 . . . . 0.0 110.722 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 48.2 tp60 . . . . . 0 N--CA 1.47 0.541 0 C-N-CA 126.371 1.868 . . . . 0.0 111.574 -177.429 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo . . . . . 0 CA--C 1.541 0.843 0 N-CA-C 114.682 0.993 . . . . 0.0 114.682 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.0 -175.53 4.72 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.629 1.571 . . . . 0.0 113.193 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 32.6 m -49.52 156.73 0.6 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.639 2.375 . . . . 0.0 116.501 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.84 20.52 9.25 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.998 2.119 . . . . 0.0 111.977 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -131.92 20.81 4.55 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.356 2.262 . . . . 0.0 111.006 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p -131.19 -168.78 2.06 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.098 2.159 . . . . 0.0 111.88 -176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -44.58 -36.22 2.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.725 1.61 . . . . 0.0 114.164 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -59.55 -27.8 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.056 1.342 . . . . 0.0 113.78 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.29 -21.0 24.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.237 1.015 . . . . 0.0 112.189 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 mt -65.84 -33.58 76.19 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.285 -0.885 . . . . 0.0 110.305 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -58.67 -31.43 68.18 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -80.61 -13.77 58.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.686 1.594 . . . . 0.0 113.5 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -100.94 -29.03 12.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.253 1.421 . . . . 0.0 112.188 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 23.8 mt -64.5 163.94 23.15 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 126.113 1.765 . . . . 0.0 112.059 175.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.44 55.16 2.5 Favored 'Trans proline' 0 CA--C 1.549 1.228 0 C-N-CA 124.999 3.8 . . . . 0.0 113.694 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.5 -6.94 0.12 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.955 2.502 . . . . 0.0 115.959 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -105.9 -1.94 23.56 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.845 2.058 . . . . 0.0 112.707 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -102.47 15.07 30.3 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.08 1.752 . . . . 0.0 112.225 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -63.39 -7.98 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 127.917 2.487 . . . . 0.0 115.818 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -8.71 0.25 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.331 2.253 . . . . 0.0 115.971 178.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.5 t -145.0 122.59 6.38 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 126.925 2.09 . . . . 0.0 107.451 174.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.98 -21.31 20.97 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.436 2.758 . . . . 0.0 115.977 -173.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.1 mt -145.88 147.74 33.44 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.643 1.177 . . . . 0.0 112.045 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 -36.53 10.14 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.024 2.483 . . . . 0.0 112.323 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -157.0 168.62 26.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.297 1.839 . . . . 0.0 111.352 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -83.92 5.96 23.49 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.36 -6.55 7.31 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 94.6 mmm -69.74 54.99 0.12 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.934 2.494 . . . . 0.0 113.539 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -136.99 -39.95 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.004 2.121 . . . . 0.0 112.252 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -99.35 3.08 45.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.602 1.161 . . . . 0.0 112.31 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.44 130.21 21.6 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.202 2.201 . . . . 0.0 109.774 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.53 143.06 21.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.624 1.57 . . . . 0.0 110.14 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.64 154.28 21.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.635 1.174 . . . . 0.0 113.802 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -115.02 165.23 14.53 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 127.33 2.252 . . . . 0.0 111.775 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -58.75 -25.47 76.03 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.201 1.934 . . . . 0.0 113.453 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.33 -30.35 66.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 0.0 112.384 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.59 -28.03 56.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.609 1.564 . . . . 0.0 112.079 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 19.3 mt -79.87 -42.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 110.367 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.3 -1.3 14.84 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.254 -0.904 . . . . 0.0 113.316 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.17 -57.4 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 113.268 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -18.41 59.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -13.25 45.81 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t -60.35 -21.32 61.95 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -174.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.58 -18.52 65.38 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.25 121.62 81.02 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 119.835 1.198 . . . . 0.0 111.666 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.95 -6.72 18.45 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.92 3.08 . . . . 0.0 115.442 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.13 71.18 0.11 Allowed Glycine 0 CA--C 1.54 1.603 0 CA-C-O 118.376 -1.236 . . . . 0.0 114.153 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.13 -38.36 70.79 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 124.186 3.257 . . . . 0.0 115.629 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.273 1.029 . . . . 0.0 112.448 -179.742 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 CA--C 1.536 0.609 0 N-CA-C 115.025 1.125 . . . . 0.0 115.025 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 45.7 t30 -70.54 -15.97 62.83 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -130.11 -7.37 4.36 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 91.7 p -79.89 -6.59 57.72 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.44 151.33 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 128.473 2.709 . . . . 0.0 109.091 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 73.0 m -143.96 148.24 41.32 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 123.901 0.88 . . . . 0.0 112.212 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.84 -24.31 54.14 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.173 2.582 . . . . 0.0 113.115 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 22.2 p -60.58 -35.17 75.44 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.64 1.576 . . . . 0.0 113.169 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.673 0.789 . . . . 0.0 111.935 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.28 -31.27 65.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.524 0.73 . . . . 0.0 111.6 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.01 -40.37 65.24 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.397 -0.815 . . . . 0.0 110.207 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -66.29 -36.06 82.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 111.433 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.61 -50.26 73.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.104 0.962 . . . . 0.0 109.231 173.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.0 -46.4 89.39 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -61.84 -39.85 93.26 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.47 1.032 . . . . 0.0 111.434 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 54.0 m -67.19 -44.48 79.55 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 110.926 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.16 -40.69 90.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.584 1.154 . . . . 0.0 112.176 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -65.75 -31.48 72.49 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 60.4 m -64.26 158.45 64.75 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.297 1.039 . . . . 0.0 112.173 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -62.69 145.18 95.0 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.544 2.163 . . . . 0.0 111.997 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.7 t -65.92 134.52 53.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.393 1.077 . . . . 0.0 113.86 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.1 p -164.9 159.44 14.91 Favored Pre-proline 0 C--O 1.239 0.551 0 C-N-CA 126.781 2.033 . . . . 0.0 109.855 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -53.86 -35.59 80.16 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.465 2.11 . . . . 0.0 111.754 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -66.45 -40.62 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.057 1.343 . . . . 0.0 111.66 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -47.12 83.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.421 0.689 . . . . 0.0 110.963 176.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.61 -47.06 87.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.567 0.747 . . . . 0.0 110.367 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -57.66 -38.9 75.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.869 0.867 . . . . 0.0 112.293 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -62.54 -40.72 97.69 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.745 1.157 . . . . 0.0 112.374 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 47.4 t -65.61 -40.19 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.84 1.2 . . . . 0.0 110.164 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.95 -42.46 94.09 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.781 0.719 . . . . 0.0 110.645 174.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -61.44 -49.74 75.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.927 0.891 . . . . 0.0 110.867 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.25 -47.5 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.371 1.468 . . . . 0.0 111.047 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.2 -46.66 69.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.889 0.876 . . . . 0.0 112.823 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -64.24 -22.6 67.01 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 119.417 1.008 . . . . 0.0 113.05 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 15.5 t -79.29 -13.76 59.45 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 112.415 174.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -132.53 61.64 58.19 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 127.037 2.135 . . . . 0.0 109.343 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.59 -27.26 61.37 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.18 2.586 . . . . 0.0 116.093 -171.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -52.3 -49.78 63.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.106 . . . . 0.0 113.241 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.63 -32.49 31.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 19.3 tmm? -72.44 -46.63 54.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.02 0.827 . . . . 0.0 112.2 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.3 82.68 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.72 95.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.093 0.557 . . . . 0.0 111.395 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.06 -52.84 30.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.631 1.172 . . . . 0.0 112.806 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -41.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.92 -19.33 51.13 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -98.94 -49.51 4.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.584 1.154 . . . . 0.0 110.007 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.4 -35.49 67.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.585 1.154 . . . . 0.0 113.496 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.3 t -52.22 -31.82 33.82 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.186 1.394 . . . . 0.0 113.431 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.33 52.42 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.905 1.282 . . . . 0.0 114.19 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 42.9 tptt -142.62 6.43 1.64 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.282 1.833 . . . . 0.0 113.941 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 14.4 t80 -78.66 115.14 18.16 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 123.305 1.526 . . . . 0.0 113.605 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 4.8 p -153.61 127.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 129.158 2.983 . . . . 0.0 108.362 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -73.39 156.51 38.25 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.532 0.733 . . . . 0.0 112.96 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -143.45 175.72 9.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.53 1.532 . . . . 0.0 112.632 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -78.36 142.37 62.76 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 125.251 1.42 . . . . 0.0 109.67 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.05 149.03 28.4 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.171 3.247 . . . . 0.0 114.043 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 177.78 52.45 0.07 OUTLIER Glycine 0 CA--C 1.532 1.142 0 N-CA-C 114.749 0.66 . . . . 0.0 114.749 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 97.3 mtp -59.42 105.57 0.36 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.445 1.098 . . . . 0.0 111.412 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 126.577 1.951 . . . . 0.0 110.132 -178.536 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 CA--C 1.539 0.752 0 N-CA-C 113.97 0.719 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.01 8.93 0.66 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t 70.12 -179.41 0.23 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.168 2.187 . . . . 0.0 114.09 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -56.82 -0.84 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 128.195 2.598 . . . . 0.0 116.427 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -73.6 -17.91 61.12 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.545 1.138 . . . . 0.0 113.521 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p 0.4 -88.19 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 131.124 3.77 . . . . 0.0 117.434 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.76 -40.84 73.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.287 2.635 . . . . 0.0 114.111 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -66.47 -30.75 71.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.245 1.018 . . . . 0.0 110.837 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.96 -21.62 54.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.277 1.031 . . . . 0.0 112.942 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.9 mt -68.21 -32.27 72.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.538 1.063 . . . . 0.0 111.678 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -61.14 -36.16 79.02 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.97 0.805 . . . . 0.0 111.61 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -70.47 -25.16 63.04 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.1 -34.91 64.11 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -45.6 -58.52 5.89 Favored Pre-proline 0 N--CA 1.475 0.797 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -68.48 -1.52 7.56 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 124.436 3.424 . . . . 0.0 115.578 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -126.25 -6.86 6.49 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.35 2.29 5.12 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.443 1.097 . . . . 0.0 113.183 177.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.16 160.19 43.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.959 1.304 . . . . 0.0 111.722 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 t -147.83 109.59 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 105.707 -1.961 . . . . 0.0 105.707 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.12 170.68 12.41 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 112.7 -2.045 . . . . 0.0 113.51 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 80.4 p -63.01 151.76 85.3 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 123.597 0.759 . . . . 0.0 111.58 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.86 -9.38 25.94 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.113 2.542 . . . . 0.0 114.896 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.15 114.01 12.35 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.399 1.48 . . . . 0.0 109.995 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.66 -33.06 93.8 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.564 2.843 . . . . 0.0 116.548 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t -72.81 170.09 15.38 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -154.79 138.07 15.75 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.273 2.229 . . . . 0.0 109.709 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.76 -179.05 6.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.138 0.975 . . . . 0.0 112.838 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 37.5 mtp -141.29 39.12 1.74 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.234 1.814 . . . . 0.0 111.112 -174.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -52.72 -25.68 11.82 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -138.75 22.14 2.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.601 1.16 . . . . 0.0 112.956 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -155.42 160.48 40.68 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.612 1.165 . . . . 0.0 113.571 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.93 134.9 9.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.25 1.42 . . . . 0.0 108.951 175.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.58 133.41 52.25 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -101.99 163.92 16.82 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 126.968 2.107 . . . . 0.0 111.582 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -61.82 -27.36 80.37 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.799 1.666 . . . . 0.0 112.197 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.32 -38.32 88.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 112.435 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.85 -31.73 61.72 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.451 -0.78 . . . . 0.0 112.112 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 28.8 mt -74.94 -37.52 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 123.899 0.88 . . . . 0.0 110.536 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.05 -4.42 41.23 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.036 -1.665 . . . . 0.0 112.853 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -50.53 9.59 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.99 -1.069 . . . . 0.0 113.448 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -25.84 67.71 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -173.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -10.29 44.26 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -11.2 59.87 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -174.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.94 -16.23 28.21 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 117.338 2.348 . . . . 0.0 117.338 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.72 125.07 7.39 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 119.707 1.14 . . . . 0.0 110.985 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.31 -6.96 19.75 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 123.407 2.738 . . . . 0.0 115.794 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.08 56.03 16.21 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 125.166 1.365 . . . . 0.0 114.924 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -78.04 -10.8 16.56 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.024 3.149 . . . . 0.0 115.458 -175.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 N--CA 1.474 0.769 0 C-N-CA 124.644 1.177 . . . . 0.0 113.558 -178.904 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo . . . . . 0 CA--C 1.539 0.749 0 N-CA-C 114.817 1.045 . . . . 0.0 114.817 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 50.1 p-10 -119.58 6.17 11.05 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.091 1.756 . . . . 0.0 114.002 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -134.56 -14.63 2.19 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.638 1.975 . . . . 0.0 113.236 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 12.4 m -57.97 138.06 56.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.44 1.896 . . . . 0.0 114.08 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 33.8 pt -150.41 169.44 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 128.091 2.557 . . . . 0.0 109.385 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -130.35 132.42 24.02 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.061 0.944 . . . . 0.0 111.551 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.27 -21.15 42.03 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.061 2.507 . . . . 0.0 113.505 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 25.0 p -63.2 -31.97 73.25 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.676 1.19 . . . . 0.0 112.41 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.21 76.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.95 0.9 . . . . 0.0 111.869 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.29 -36.99 80.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.471 0.708 . . . . 0.0 111.217 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -66.58 -40.14 88.8 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.725 -0.61 . . . . 0.0 110.509 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -38.62 91.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.501 0.721 . . . . 0.0 111.169 174.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.65 -44.36 96.47 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.404 -0.81 . . . . 0.0 109.903 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.52 -43.91 97.65 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.233 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -65.21 -33.4 75.9 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.331 1.423 . . . . 0.0 111.735 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 90.6 m -65.14 -44.33 88.99 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 110.436 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.13 -44.18 92.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.302 1.441 . . . . 0.0 112.143 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.34 -26.58 65.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.455 1.102 . . . . 0.0 113.784 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.0 m -75.37 158.08 84.01 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.986 1.315 . . . . 0.0 111.667 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.13 147.94 84.61 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.919 2.413 . . . . 0.0 113.038 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 13.2 t -70.43 142.72 51.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.662 1.185 . . . . 0.0 113.919 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -170.96 163.32 5.38 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 127.605 2.362 . . . . 0.0 109.769 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -53.63 -35.32 77.13 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.347 2.031 . . . . 0.0 111.643 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.73 -43.06 85.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.125 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -63.94 -42.61 97.27 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -62.74 -43.56 98.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.827 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.52 -38.47 84.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.731 0.813 . . . . 0.0 111.752 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.51 -39.39 83.67 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.274 0.943 . . . . 0.0 113.007 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.15 -49.82 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 118.869 0.758 . . . . 0.0 110.054 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.51 -40.23 96.52 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.309 1.043 . . . . 0.0 110.963 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.55 -49.79 76.41 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.802 1.183 . . . . 0.0 111.264 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.04 -47.95 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.981 1.312 . . . . 0.0 110.856 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.0 -41.3 82.46 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.673 0.789 . . . . 0.0 112.972 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -64.93 -20.64 66.56 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.698 1.135 . . . . 0.0 112.734 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 7.7 t -85.01 -12.0 54.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.027 1.331 . . . . 0.0 111.875 174.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -134.97 57.96 24.72 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 127.352 2.261 . . . . 0.0 109.707 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.25 -22.88 74.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.926 2.417 . . . . 0.0 114.819 -173.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.22 -51.49 67.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.021 0.928 . . . . 0.0 111.462 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.91 -35.09 62.24 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 36.2 ttp -68.47 -46.88 68.56 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.856 0.753 . . . . 0.0 111.921 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.84 95.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.516 0.726 . . . . 0.0 111.535 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.91 93.17 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.894 -0.504 . . . . 0.0 111.268 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 7.6 t80 -65.78 -53.29 42.38 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.598 0.759 . . . . 0.0 112.025 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -42.29 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.705 1.138 . . . . 0.0 112.931 -176.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -62.19 -17.68 58.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -98.6 -45.99 5.88 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.287 1.435 . . . . 0.0 109.686 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -57.41 -45.6 84.4 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.036 1.735 . . . . 0.0 112.661 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 4.9 t -54.08 -25.43 21.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.345 1.458 . . . . 0.0 114.502 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.85 60.85 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.244 1.018 . . . . 0.0 113.707 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 56.5 tptt -135.36 -25.13 1.35 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.842 2.057 . . . . 0.0 113.862 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 2.2 t80 -40.01 113.76 0.38 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 128.242 2.617 . . . . 0.0 114.985 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 29.3 m -73.98 29.04 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 131.227 3.811 . . . . 0.0 114.2 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -66.05 -16.55 64.02 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 10.2 p30 -73.83 160.63 31.18 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.417 1.087 . . . . 0.0 112.704 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -153.68 157.53 32.65 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.244 1.418 . . . . 0.0 111.905 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.83 163.73 36.2 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.479 2.119 . . . . 0.0 111.312 175.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -161.73 39.17 0.39 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.357 0.98 . . . . 0.0 113.834 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 39.2 tpp -139.56 68.82 1.36 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.429 1.492 . . . . 0.0 110.454 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 125.737 1.615 . . . . 0.0 111.421 -177.567 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 CA--C 1.539 0.731 0 N-CA-C 114.043 0.747 . . . . 0.0 114.043 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -147.33 179.77 7.41 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.696 1.598 . . . . 0.0 112.332 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 8.1 t -136.18 -170.83 2.74 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.526 1.53 . . . . 0.0 111.399 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -109.53 16.69 22.06 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.619 1.968 . . . . 0.0 110.84 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -128.94 17.72 6.17 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 128.624 2.769 . . . . 0.0 110.546 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.7 p -133.08 151.41 52.02 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.589 1.555 . . . . 0.0 115.144 -175.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -25.04 61.22 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.0 t -54.63 -36.54 64.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.266 1.026 . . . . 0.0 112.662 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.16 -21.31 62.19 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.149 0.98 . . . . 0.0 113.38 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.97 -34.17 71.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.908 -1.12 . . . . 0.0 110.082 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -67.3 -44.25 79.68 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.265 0.626 . . . . 0.0 112.242 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -63.87 -18.31 64.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -98.22 -7.53 29.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.289 1.436 . . . . 0.0 113.693 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -42.99 -50.59 13.6 Favored Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.09 7.91 1.24 Allowed 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.641 2.894 . . . . 0.0 114.207 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.33 -32.93 67.21 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 120.207 1.367 . . . . 0.0 114.348 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -74.06 -16.27 61.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.836 1.254 . . . . 0.0 113.558 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . 0.277 12.2 p30 43.16 27.84 0.13 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.3 t -147.42 114.3 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 127.14 2.176 . . . . 0.0 108.555 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.0 mt -110.88 168.85 9.17 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 128.333 2.653 . . . . 0.0 111.531 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -60.97 153.83 63.56 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 123.923 0.889 . . . . 0.0 112.925 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.73 -8.69 15.84 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.943 2.428 . . . . 0.0 113.058 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.08 151.91 47.48 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 126.244 1.818 . . . . 0.0 112.703 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -75.84 175.84 10.79 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.918 2.412 . . . . 0.0 112.142 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -55.36 -23.48 24.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.079 1.752 . . . . 0.0 115.02 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -82.78 14.35 3.27 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.805 1.642 . . . . 0.0 115.184 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -7.98 17.99 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 59.3 mmm -73.68 37.03 0.09 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.902 2.481 . . . . 0.0 114.77 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.95 -28.61 69.94 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -142.8 -45.48 0.31 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.776 1.231 . . . . 0.0 112.569 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.26 133.75 52.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.107 0.563 . . . . 0.0 111.025 176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.49 143.86 24.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.651 1.58 . . . . 0.0 109.479 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.79 157.95 6.88 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -134.31 159.48 72.15 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 128.74 2.816 . . . . 0.0 108.984 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -57.5 -26.46 71.79 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.567 2.178 . . . . 0.0 114.067 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.71 -35.08 68.1 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.888 1.275 . . . . 0.0 113.509 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -74.76 -28.46 60.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.257 1.023 . . . . 0.0 112.622 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.6 mt -85.71 -39.13 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 125.296 1.438 . . . . 0.0 111.445 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.0 1.48 7.21 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.103 -0.998 . . . . 0.0 113.111 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -82.79 -60.41 2.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.116 1.366 . . . . 0.0 112.805 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -17.31 64.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -9.7 46.65 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.65 -22.88 64.38 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -11.4 91.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 129.267 3.027 . . . . 0.0 116.954 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -151.77 112.87 2.94 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.133 1.373 . . . . 0.0 110.548 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -57.83 -26.01 71.85 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.526 2.818 . . . . 0.0 113.551 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.05 -171.06 54.13 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.945 1.259 . . . . 0.0 115.069 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.26 -7.76 20.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 124.249 3.3 . . . . 0.0 114.729 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 N--CA 1.473 0.678 0 C-N-CA 125.036 1.334 . . . . 0.0 111.788 -179.526 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo . . . . . 0 CA--C 1.538 0.706 0 N-CA-C 114.541 0.939 . . . . 0.0 114.541 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -60.8 134.62 57.27 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.716 1.206 . . . . 0.0 111.747 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -99.72 5.92 45.62 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.225 1.41 . . . . 0.0 113.691 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 7.0 t -134.91 -163.38 1.37 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.752 2.021 . . . . 0.0 110.96 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.0 pt -138.65 160.03 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.495 1.518 . . . . 0.0 111.319 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 71.2 m -138.12 137.98 22.18 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 124.299 1.04 . . . . 0.0 111.547 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.11 -22.61 40.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.11 2.54 . . . . 0.0 113.033 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.9 p -56.11 -32.46 64.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.301 1.04 . . . . 0.0 112.896 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.34 -33.36 72.29 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.839 1.256 . . . . 0.0 112.915 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.38 -45.17 80.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.364 1.066 . . . . 0.0 110.033 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -66.63 -41.49 88.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.102 0.561 . . . . 0.0 111.443 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.1 t0 -66.08 -38.36 88.08 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.629 -0.669 . . . . 0.0 111.885 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.57 -36.78 73.81 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.65 -1.281 . . . . 0.0 110.775 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.66 -48.78 79.27 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.07 0.85 . . . . 0.0 110.723 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -63.49 -33.65 76.05 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.185 0.902 . . . . 0.0 112.337 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 87.1 m -66.67 -46.93 74.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.303 1.041 . . . . 0.0 110.647 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.66 -39.86 89.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.501 1.12 . . . . 0.0 111.552 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -73.66 12.7 0.59 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.845 1.658 . . . . 0.0 115.456 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 33.3 m -123.9 157.64 62.64 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 125.972 1.709 . . . . 0.0 110.862 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -63.12 150.86 87.43 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.999 2.466 . . . . 0.0 113.677 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 17.7 t -64.33 129.3 39.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.362 1.065 . . . . 0.0 112.25 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -161.96 160.94 21.99 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.923 1.689 . . . . 0.0 110.573 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.54 -35.33 76.27 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.626 2.217 . . . . 0.0 111.727 173.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.4 -43.29 86.22 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 111.182 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.14 -48.98 77.71 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.543 0.737 . . . . 0.0 110.643 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.29 -45.29 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 111.204 176.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -62.44 -40.29 96.1 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 0.0 111.641 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -58.49 -45.43 88.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.955 0.798 . . . . 0.0 111.689 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 86.3 t -55.81 -51.92 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.49 -42.61 99.62 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.431 0.693 . . . . 0.0 111.363 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -58.35 -48.13 81.55 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 111.636 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.1 mt -63.71 -48.66 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.133 0.973 . . . . 0.0 111.422 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.98 -43.29 93.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.263 0.625 . . . . 0.0 111.896 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -67.77 -18.47 64.88 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.296 1.039 . . . . 0.0 112.877 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.0 m -82.88 -4.47 58.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.331 1.052 . . . . 0.0 112.003 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -139.3 56.17 8.36 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 126.571 1.948 . . . . 0.0 110.933 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.22 -37.33 39.26 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.936 3.091 . . . . 0.0 115.901 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -51.35 -50.41 59.55 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.51 1.524 . . . . 0.0 113.25 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.74 -27.26 29.05 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -47.2 16.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.994 1.318 . . . . 0.0 111.906 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2099 ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -63.58 -33.03 74.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.119 0.968 . . . . 0.0 112.426 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.47 83.16 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.128 0.571 . . . . 0.0 111.95 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.59 -53.01 8.63 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 113.322 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2102 ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' 2102 ' ' ILE . 0.2 OUTLIER -56.45 -43.01 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.239 0.616 . . . . 0.0 112.546 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -61.4 -15.1 33.4 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -97.78 -44.8 6.58 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.9 0.88 . . . . 0.0 109.763 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -59.55 -34.28 72.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.44 1.096 . . . . 0.0 113.102 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 8.9 t -56.62 -28.34 60.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.142 0.977 . . . . 0.0 113.364 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.77 -17.23 64.0 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.018 -1.051 . . . . 0.0 113.636 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 22.5 tptm -112.84 -34.97 5.61 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.0 2.12 . . . . 0.0 111.971 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 6.8 t80 -80.92 69.24 7.45 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.525 2.33 . . . . 0.0 111.897 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 46.7 t -125.83 126.28 69.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 112.084 -2.326 . . . . 0.0 109.669 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -130.43 163.71 26.35 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.991 1.716 . . . . 0.0 111.786 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -140.44 164.46 30.07 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.937 1.295 . . . . 0.0 112.252 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -109.14 142.5 25.72 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.369 1.867 . . . . 0.0 110.086 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -63.63 148.23 92.4 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.713 2.275 . . . . 0.0 111.549 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -73.42 -15.86 78.97 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 115.954 1.141 . . . . 0.0 115.954 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.67 137.29 56.59 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.564 1.182 . . . . 0.0 112.805 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 126.115 1.766 . . . . 0.0 110.8 178.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 113.98 0.723 . . . . 0.0 113.98 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.79 156.76 41.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.331 1.452 . . . . 0.0 111.695 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 55.9 m -77.4 137.55 38.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.369 0.604 . . . . 0.0 110.54 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -76.95 -3.49 39.1 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -91.37 9.74 30.38 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.362 1.465 . . . . 0.0 112.824 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.5 p -98.96 -169.49 1.78 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.191 1.797 . . . . 0.0 113.557 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -46.75 -27.36 1.17 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.315 1.846 . . . . 0.0 115.656 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -57.73 -32.56 67.55 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.554 0.742 . . . . 0.0 112.615 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -82.68 -24.53 33.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.337 1.055 . . . . 0.0 113.246 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.2 -36.22 82.91 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.33 -0.856 . . . . 0.0 110.35 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -63.72 -31.91 73.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.826 -0.546 . . . . 0.0 112.222 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.26 -35.66 41.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.351 1.46 . . . . 0.0 112.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.54 -35.45 65.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.881 0.872 . . . . 0.0 112.742 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -45.57 -54.9 13.71 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.13 3.92 1.81 Allowed 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.022 3.148 . . . . 0.0 114.724 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -132.27 -19.91 2.44 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.3 p30 -85.84 -0.78 56.23 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.175 0.99 . . . . 0.0 113.127 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.31 157.33 47.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.42 1.488 . . . . 0.0 111.412 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 m -139.83 -13.12 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.69 161.25 38.56 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.658 1.183 . . . . 0.0 113.681 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -145.96 149.4 38.97 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.709 1.603 . . . . 0.0 110.695 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -81.65 -24.07 4.47 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.695 2.263 . . . . 0.0 115.215 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 97.7 mt -146.53 154.96 49.3 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 124.604 1.162 . . . . 0.0 113.543 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.07 -178.37 4.53 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.7 2.933 . . . . 0.0 110.497 172.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 48.2 m -54.32 -19.9 6.25 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -61.45 -13.2 18.6 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.96 -26.02 68.12 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.748 1.619 . . . . 0.0 113.264 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.6 mtp -79.2 20.17 0.53 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.532 1.533 . . . . 0.0 114.361 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.57 -36.47 71.74 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.503 1.521 . . . . 0.0 114.655 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -142.94 22.61 1.92 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.797 1.239 . . . . 0.0 112.977 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -144.54 147.83 33.69 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.613 1.565 . . . . 0.0 110.889 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.3 tpp -149.49 164.26 35.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.188 1.395 . . . . 0.0 111.268 -177.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.93 144.02 9.29 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.726 1.211 . . . . 0.0 111.874 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.2 p -118.63 159.37 44.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 112.973 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.24 -24.9 76.43 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.417 2.078 . . . . 0.0 113.101 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.52 -32.0 73.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.526 1.13 . . . . 0.0 111.919 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.18 -28.49 63.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.436 1.095 . . . . 0.0 111.684 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -77.96 -46.37 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.271 1.028 . . . . 0.0 111.316 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.67 -3.63 12.72 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.75 -59.85 2.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.711 1.604 . . . . 0.0 112.827 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -26.7 65.32 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -172.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.84 -10.07 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t -57.63 -17.32 13.93 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -66.95 -0.39 3.09 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.103 1.761 . . . . 0.0 114.948 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -49.8 125.08 16.93 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 125.536 1.534 . . . . 0.0 112.481 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -51.85 -45.19 39.98 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.281 3.321 . . . . 0.0 116.227 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.03 172.04 17.61 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.084 0.849 . . . . 0.0 114.875 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.52 -39.04 86.78 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.144 3.229 . . . . 0.0 114.6 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 N--CA 1.477 0.913 0 C-N-CA 128.286 2.634 . . . . 0.0 115.273 -179.266 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo . . . . . 0 CA--C 1.54 0.81 0 N-CA-C 114.783 1.032 . . . . 0.0 114.783 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -145.12 137.42 25.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.059 1.744 . . . . 0.0 109.755 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -140.18 159.19 42.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.187 1.395 . . . . 0.0 111.877 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 82.5 p -157.35 -177.17 6.4 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.448 1.499 . . . . 0.0 112.079 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.5 pt -140.0 162.0 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.231 1.812 . . . . 0.0 109.679 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.3 m -128.24 138.46 33.05 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.146 0.978 . . . . 0.0 111.329 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 -24.66 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.139 2.559 . . . . 0.0 113.925 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 26.9 p -63.03 -34.04 76.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.913 1.285 . . . . 0.0 113.426 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.52 80.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.532 0.733 . . . . 0.0 111.537 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.5 -33.18 70.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.737 0.815 . . . . 0.0 111.811 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -69.35 -40.56 77.44 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.394 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.71 -35.42 80.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 111.188 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.29 -50.5 73.4 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.409 1.083 . . . . 0.0 109.532 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -46.86 82.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 113.048 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -66.08 -30.33 70.82 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.385 0.993 . . . . 0.0 112.521 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 58.2 m -70.31 -44.39 68.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.913 0.885 . . . . 0.0 110.376 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.45 -37.47 86.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.395 1.878 . . . . 0.0 113.367 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -62.87 -24.17 67.68 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.6 m -80.44 156.48 73.48 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.3 1.04 . . . . 0.0 111.021 175.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.37 147.44 94.92 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.843 2.362 . . . . 0.0 112.819 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.2 t -72.65 145.33 47.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 93.6 p -170.61 161.15 6.02 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 128.426 2.69 . . . . 0.0 108.888 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.68 -33.53 80.26 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.209 1.94 . . . . 0.0 111.805 174.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.35 -42.52 83.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.856 1.262 . . . . 0.0 111.191 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.63 -43.22 94.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.523 0.729 . . . . 0.0 110.551 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -61.58 -41.64 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.032 0.933 . . . . 0.0 111.43 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -56.0 -37.91 69.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.389 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -64.58 -43.63 93.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.663 1.12 . . . . 0.0 111.659 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 46.2 t -62.39 -43.57 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.234 0.925 . . . . 0.0 110.346 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.52 -41.25 94.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.778 0.831 . . . . 0.0 110.927 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.3 -45.89 89.27 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.155 0.889 . . . . 0.0 111.139 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -45.91 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.1 1.36 . . . . 0.0 110.448 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.62 -43.31 80.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.986 0.914 . . . . 0.0 111.894 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -65.37 -16.79 63.96 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.904 1.229 . . . . 0.0 113.41 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.2 m -87.35 -8.66 56.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.844 1.258 . . . . 0.0 111.987 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.84 54.67 5.79 Favored Pre-proline 0 CA--C 1.558 1.252 0 C-N-CA 128.117 2.567 . . . . 0.0 109.602 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.94 -23.14 71.69 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.213 2.608 . . . . 0.0 115.836 -172.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -48.74 -47.07 41.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.8 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.8 -31.34 25.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 11.1 ptm -78.9 -37.36 40.18 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.617 1.099 . . . . 0.0 112.949 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.25 84.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.823 0.738 . . . . 0.0 112.343 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.0 90.63 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 122.024 -0.423 . . . . 0.0 110.94 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.3 t80 -68.63 -51.47 41.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.876 1.27 . . . . 0.0 113.498 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -37.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-N 119.595 1.089 . . . . 0.0 112.757 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.49 -24.93 34.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.703 1.201 . . . . 0.0 113.218 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -98.9 -46.04 5.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.035 1.334 . . . . 0.0 111.109 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -32.96 64.87 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.674 1.189 . . . . 0.0 112.565 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.4 t -51.98 -29.77 22.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.316 1.046 . . . . 0.0 112.968 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.66 63.9 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.961 1.304 . . . . 0.0 113.862 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -120.49 -10.44 9.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.325 2.25 . . . . 0.0 113.425 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.39 45.82 0.59 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.1 2.16 . . . . 0.0 110.344 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 7.5 p -130.35 26.77 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 128.54 2.736 . . . . 0.0 112.26 -174.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -57.84 -13.9 5.13 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 14.2 m120 -82.07 58.82 4.12 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.353 1.461 . . . . 0.0 113.402 -177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -129.63 132.88 24.49 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.646 1.578 . . . . 0.0 109.9 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.44 -31.83 18.92 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 124.605 3.537 . . . . 0.0 117.549 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -90.53 -9.95 64.12 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.467 0.947 . . . . 0.0 115.467 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 21.7 ttt -88.41 55.62 3.48 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.916 1.358 . . . . 0.0 111.894 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 125.111 1.364 . . . . 0.0 112.806 -179.158 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.54 0.811 0 N-CA-C 114.143 0.786 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -141.09 170.66 15.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.829 1.652 . . . . 0.0 113.781 -178.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -142.29 166.95 23.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.95 1.7 . . . . 0.0 111.219 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -74.51 35.12 0.1 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.507 1.523 . . . . 0.0 113.699 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -137.78 14.76 2.91 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 128.31 2.644 . . . . 0.0 110.903 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -123.51 -171.54 2.33 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.559 1.944 . . . . 0.0 111.137 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -45.58 -35.67 4.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.271 1.428 . . . . 0.0 114.696 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -62.06 -29.95 70.65 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.304 1.042 . . . . 0.0 113.267 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -83.31 -25.58 31.38 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.977 -1.077 . . . . 0.0 112.222 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.81 -28.38 68.96 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.393 -0.817 . . . . 0.0 111.453 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -67.29 -41.43 85.43 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.621 0.646 . . . . 0.0 110.297 171.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -67.61 -28.61 67.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.169 1.787 . . . . 0.0 113.584 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 mt -60.88 -20.39 61.86 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.834 0.854 . . . . 0.0 112.343 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.0 mt -106.72 85.06 1.68 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.795 2.038 . . . . 0.0 109.166 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -61.49 -16.04 45.07 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 124.27 3.314 . . . . 0.0 115.205 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.04 -20.44 63.96 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 174.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -49.25 -17.14 0.21 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.3 8.34 5.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.205 1.402 . . . . 0.0 114.469 -177.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.66 -9.94 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.007 1.323 . . . . 0.0 113.973 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' B' ' 32' ' ' LEU . 2.6 pp -60.19 168.17 2.09 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.612 2.365 . . . . 0.0 114.905 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -62.48 157.75 54.02 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.617 1.967 . . . . 0.0 114.309 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.83 3.38 2.37 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 124.347 3.365 . . . . 0.0 116.848 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 pp -139.36 154.32 71.71 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 125.131 1.373 . . . . 0.0 112.631 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -69.81 173.32 11.19 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 124.118 3.212 . . . . 0.0 115.346 -176.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 47.3 t -61.75 151.21 34.63 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.939 1.695 . . . . 0.0 113.042 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -99.31 -3.43 34.05 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.1 1.36 . . . . 0.0 113.477 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.33 -17.32 63.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.349 1.46 . . . . 0.0 114.001 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 37.7 mtp -83.81 17.12 2.44 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.597 1.559 . . . . 0.0 113.633 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.9 -30.77 62.11 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.015 1.726 . . . . 0.0 115.369 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -143.04 19.18 1.95 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.47 1.108 . . . . 0.0 113.615 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.04 149.43 30.31 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.436 1.494 . . . . 0.0 111.775 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.0 tpp -151.26 154.41 36.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.832 1.253 . . . . 0.0 112.322 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.84 152.26 7.52 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -128.47 168.9 14.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 127.418 2.287 . . . . 0.0 111.277 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -58.05 -27.73 80.68 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.321 2.014 . . . . 0.0 112.459 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.13 -34.0 69.78 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.734 1.613 . . . . 0.0 112.732 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.15 -38.97 66.04 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.389 1.076 . . . . 0.0 111.367 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.69 -42.74 62.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.727 1.211 . . . . 0.0 111.24 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.51 -7.93 52.51 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.972 -1.08 . . . . 0.0 113.499 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -53.32 5.91 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.612 1.165 . . . . 0.0 113.493 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -22.01 65.61 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.37 48.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t -59.3 -22.89 61.9 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.41 -10.75 60.18 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.29 123.8 67.64 Favored Pre-proline 0 CA--C 1.556 1.173 0 C-N-CA 124.48 1.112 . . . . 0.0 111.22 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.37 -6.15 18.51 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 124.007 3.138 . . . . 0.0 115.416 -177.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.53 59.3 10.37 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.58 1.562 . . . . 0.0 115.322 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.94 174.96 2.67 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.836 3.024 . . . . 0.0 114.223 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.241 0.645 0 C-N-CA 126.635 1.974 . . . . 0.0 112.017 178.519 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo . . . . . 0 CA--C 1.545 1.07 0 N-CA-C 113.297 0.46 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -66.4 -9.99 39.2 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -132.91 155.15 49.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.731 1.612 . . . . 0.0 111.698 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 35.5 m -63.35 158.77 19.61 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.465 1.506 . . . . 0.0 112.535 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 49.2 pt -66.17 162.36 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.743 1.217 . . . . 0.0 111.839 176.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.4 m -127.73 139.52 35.53 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 124.101 0.961 . . . . 0.0 111.773 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.21 -24.33 44.24 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.047 2.498 . . . . 0.0 113.071 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.9 p -55.81 -35.36 66.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 0.0 112.638 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.67 69.09 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.344 1.057 . . . . 0.0 113.055 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.44 -41.64 76.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.819 0.847 . . . . 0.0 110.016 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -68.68 -39.98 80.33 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.854 -0.529 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.563 -0.71 . . . . 0.0 112.173 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.94 -49.33 72.98 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.069 -1.019 . . . . 0.0 109.254 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.98 -45.83 91.43 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -61.97 -29.79 70.49 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.072 0.851 . . . . 0.0 112.021 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 60.3 m -78.65 -42.38 28.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.043 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 37.1 tp -57.68 -35.72 70.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.676 1.19 . . . . 0.0 111.718 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.82 -16.06 56.76 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.4 m -66.56 162.75 47.46 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.656 1.182 . . . . 0.0 111.885 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.31 161.34 43.53 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.296 1.997 . . . . 0.0 111.743 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 47.0 m -59.15 102.75 0.14 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.147 1.379 . . . . 0.0 110.874 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 82.2 p -159.27 156.98 26.92 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -174.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.24 -17.9 55.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.644 2.23 . . . . 0.0 112.489 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -64.5 -49.11 72.65 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.056 -1.027 . . . . 0.0 110.972 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.09 -35.72 80.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.804 0.729 . . . . 0.0 111.906 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -59.27 -50.5 73.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.033 1.333 . . . . 0.0 109.855 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -65.4 -42.67 92.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.599 0.76 . . . . 0.0 111.871 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.28 -42.82 99.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.789 1.177 . . . . 0.0 113.27 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 55.6 t -61.73 -42.07 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.113 1.324 . . . . 0.0 110.022 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.19 -38.99 91.21 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.584 0.629 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.88 -45.9 90.37 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.0 0.818 . . . . 0.0 110.885 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.74 -43.22 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 110.62 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.83 -32.39 70.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.019 0.928 . . . . 0.0 112.794 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -61.92 -24.37 66.93 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.729 1.149 . . . . 0.0 112.542 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 71.2 m -85.79 -3.81 59.0 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.503 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -138.55 54.8 7.27 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.069 2.148 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.46 -32.6 74.09 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.092 2.528 . . . . 0.0 116.315 -175.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -48.98 -49.12 42.17 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.649 1.579 . . . . 0.0 113.629 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.54 -31.21 26.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.85 -46.23 63.05 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.419 0.687 . . . . 0.0 111.678 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.85 98.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.145 0.978 . . . . 0.0 112.934 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.58 91.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.027 0.531 . . . . 0.0 111.441 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.2 t80 -69.64 -52.79 22.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.809 1.244 . . . . 0.0 112.822 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -35.03 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 118.769 0.713 . . . . 0.0 112.255 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.11 -30.33 59.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.06 0.846 . . . . 0.0 112.935 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -87.75 -42.11 12.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.509 0.724 . . . . 0.0 110.859 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -64.33 -33.1 75.06 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.3 t -59.03 -31.68 69.05 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 119.096 0.862 . . . . 0.0 112.668 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.43 -9.91 38.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.378 1.071 . . . . 0.0 113.641 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -118.57 8.05 11.92 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.521 2.328 . . . . 0.0 112.378 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.94 108.45 12.42 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.3 1.84 . . . . 0.0 110.28 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 9.3 p -147.35 124.43 3.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.84 2.056 . . . . 0.0 110.645 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -128.34 12.35 6.49 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.932 1.693 . . . . 0.0 114.393 -176.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 15.9 p30 -129.05 167.46 17.48 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.128 1.771 . . . . 0.0 112.991 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -65.63 134.37 95.37 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.023 1.329 . . . . 0.0 112.585 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -73.33 -23.84 17.24 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.098 2.532 . . . . 0.0 113.627 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -179.43 31.79 0.06 OUTLIER Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.784 1.183 . . . . 0.0 114.301 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 96.7 mmm -130.19 29.19 4.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.016 1.726 . . . . 0.0 112.432 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 125.274 1.43 . . . . 0.0 113.198 -179.327 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.541 0.828 0 N-CA-C 114.073 0.759 . . . . 0.0 114.073 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.59 178.86 6.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.366 1.867 . . . . 0.0 112.323 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 59.5 m -133.38 155.92 48.59 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.809 1.244 . . . . 0.0 112.404 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.78 17.07 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.73 2.412 . . . . 0.0 115.252 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -127.95 -2.19 5.87 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.221 1.809 . . . . 0.0 112.954 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -74.87 172.68 11.8 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.721 1.208 . . . . 0.0 112.369 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -37.25 -44.39 0.58 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.164 2.186 . . . . 0.0 116.061 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t -56.61 -34.7 67.5 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.272 1.029 . . . . 0.0 113.539 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.96 -25.12 18.15 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 112.112 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -35.08 79.09 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.68 0.673 . . . . 0.0 110.499 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -58.08 -29.52 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.214 0.915 . . . . 0.0 112.851 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -81.66 -18.8 43.31 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.37 1.468 . . . . 0.0 114.337 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 mt -82.09 -37.84 25.74 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.28 -43.82 98.6 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -53.39 -14.26 4.37 Favored 'Trans proline' 0 CA--C 1.542 0.893 1 C-N-CA 125.33 4.02 . . . . 0.0 117.523 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -103.01 -0.13 31.29 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.28 1.4 . . . . 0.0 114.207 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.93 26.87 10.18 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.781 1.232 . . . . 0.0 111.022 174.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -146.5 147.64 31.39 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.275 2.63 . . . . 0.0 109.015 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -130.9 -7.41 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 125.271 1.428 . . . . 0.0 113.712 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 33.4 mt -95.28 172.42 8.12 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.606 2.362 . . . . 0.0 111.419 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 73.4 p -63.25 153.92 80.1 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 121.615 -0.678 . . . . 0.0 111.341 175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.07 -29.17 8.4 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.213 1.942 . . . . 0.0 113.66 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 82.7 mt -127.26 58.57 31.35 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.884 1.274 . . . . 0.0 113.997 -174.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.34 -22.95 21.2 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.244 2.629 . . . . 0.0 113.749 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.0 t -150.98 178.42 9.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.136 1.374 . . . . 0.0 111.879 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -75.68 76.43 2.66 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.263 1.825 . . . . 0.0 112.396 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.99 -15.81 2.31 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mmt -123.57 16.7 9.61 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.905 1.282 . . . . 0.0 113.095 -176.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.32 -49.3 77.55 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -175.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.63 14.81 4.92 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.524 1.53 . . . . 0.0 114.873 -174.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 pp -139.13 152.85 47.8 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.988 1.715 . . . . 0.0 110.197 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -150.12 142.01 23.82 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.816 0.846 . . . . 0.0 112.449 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.04 159.37 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.521 0.728 . . . . 0.0 111.919 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -119.37 151.84 51.85 Favored Pre-proline 0 N--CA 1.47 0.555 0 C-N-CA 126.228 1.811 . . . . 0.0 110.565 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -54.05 -24.91 34.5 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.023 2.482 . . . . 0.0 113.547 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.56 -35.19 71.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 112.809 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -73.77 -33.6 64.33 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.119 0.968 . . . . 0.0 111.486 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.53 -40.67 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.957 1.303 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.13 -4.77 51.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.873 -1.142 . . . . 0.0 113.242 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -54.54 5.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.588 1.155 . . . . 0.0 112.236 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -19.68 66.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -9.66 47.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.87 -17.36 50.92 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -176.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.08 128.8 38.8 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -152.33 137.45 10.97 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 126.107 1.763 . . . . 0.0 110.163 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -73.1 -12.35 25.7 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.65 2.9 . . . . 0.0 116.188 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.64 -177.53 43.65 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-N 119.807 1.185 . . . . 0.0 114.552 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.88 -11.38 21.7 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.39 3.394 . . . . 0.0 115.268 -177.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.034 1.334 . . . . 0.0 112.223 -179.137 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo . . . . . 0 CA--C 1.54 0.79 0 N-CA-C 114.927 1.087 . . . . 0.0 114.927 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -119.82 153.07 36.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.744 1.617 . . . . 0.0 111.142 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -152.49 153.31 33.23 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.636 1.574 . . . . 0.0 110.864 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 43.5 m -121.16 15.92 11.51 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.44 160.75 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 127.311 2.244 . . . . 0.0 108.342 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 4.6 m -155.2 148.76 18.64 Favored Pre-proline 0 N--CA 1.482 1.158 0 CA-C-N 119.726 1.148 . . . . 0.0 112.555 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.84 -21.34 33.28 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.518 2.812 . . . . 0.0 113.947 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 24.1 p -62.98 -34.48 77.62 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.124 -0.985 . . . . 0.0 112.481 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.17 72.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.07 0.948 . . . . 0.0 112.583 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.9 -41.51 87.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.287 1.035 . . . . 0.0 110.301 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.63 85.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.277 0.631 . . . . 0.0 111.08 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.3 t0 -66.82 -36.59 82.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.01 0.924 . . . . 0.0 110.835 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.29 -48.87 76.28 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.137 -0.977 . . . . 0.0 109.355 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.82 -44.63 82.23 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.644 -0.694 . . . . 0.0 112.253 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -63.87 -36.12 82.89 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.855 1.207 . . . . 0.0 111.94 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 56.7 m -70.4 -33.43 71.36 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.664 1.186 . . . . 0.0 111.707 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.19 -44.48 95.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 110.796 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.23 -24.76 67.78 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 152.11 67.21 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.28 153.31 66.62 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.799 2.333 . . . . 0.0 111.222 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 20.1 m -55.6 113.89 1.64 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.271 1.428 . . . . 0.0 112.726 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 97.6 p -160.84 158.33 24.31 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 124.758 1.223 . . . . 0.0 112.444 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.16 -24.42 65.97 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.051 1.834 . . . . 0.0 111.914 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.37 -39.22 92.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.794 0.837 . . . . 0.0 110.54 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.84 -46.59 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.797 -0.565 . . . . 0.0 109.894 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.65 -44.21 90.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.244 0.618 . . . . 0.0 111.101 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -63.34 -40.55 97.6 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.39 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -66.12 -39.9 90.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.95 1.25 . . . . 0.0 112.045 176.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 66.6 t -59.3 -47.12 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.111 0.868 . . . . 0.0 109.303 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.8 -48.38 81.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.319 0.648 . . . . 0.0 111.19 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.2 -48.27 79.21 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.551 1.069 . . . . 0.0 112.053 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.7 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.968 1.307 . . . . 0.0 110.875 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.86 -43.68 71.38 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -67.43 -17.05 64.56 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.78 1.232 . . . . 0.0 114.211 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 12.2 t -72.09 -26.27 62.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 111.631 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.75 68.65 8.35 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 127.623 2.369 . . . . 0.0 109.173 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.07 -8.02 21.52 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.489 2.792 . . . . 0.0 115.887 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.94 -58.64 4.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.129 1.771 . . . . 0.0 111.367 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.77 -29.65 70.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.77 1.628 . . . . 0.0 113.94 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 46.7 ttp -76.52 -46.17 27.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.553 -0.717 . . . . 0.0 111.202 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.9 78.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.445 1.098 . . . . 0.0 111.565 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.25 96.82 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.624 0.77 . . . . 0.0 111.554 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 33.5 t80 -70.84 -50.77 31.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 113.304 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -33.63 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.926 -1.109 . . . . 0.0 113.594 -176.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.54 -29.8 62.34 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -94.65 -31.59 13.77 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.632 0.651 . . . . 0.0 112.136 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -67.34 -37.55 83.43 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.131 0.972 . . . . 0.0 113.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.7 t -56.3 -34.86 66.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.38 1.072 . . . . 0.0 112.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.78 -16.95 62.51 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 113.674 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -108.39 -10.26 15.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.441 1.896 . . . . 0.0 112.414 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.75 32.19 0.42 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.601 1.96 . . . . 0.0 111.895 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 8.7 p -122.1 18.53 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 128.358 2.663 . . . . 0.0 111.604 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -54.44 141.76 29.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.338 1.455 . . . . 0.0 113.235 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 6.9 p30 -145.66 174.09 11.49 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.435 1.894 . . . . 0.0 112.236 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -59.16 155.2 35.99 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.328 1.451 . . . . 0.0 114.136 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -51.12 152.74 10.29 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 124.395 3.397 . . . . 0.0 114.457 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -121.3 26.26 6.74 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.021 1.296 . . . . 0.0 115.649 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 6.0 tpt -145.96 141.45 27.74 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.475 1.11 . . . . 0.0 111.536 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 N--CA 1.473 0.715 0 C-N-CA 126.219 1.808 . . . . 0.0 111.248 -179.868 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 CA--C 1.54 0.783 0 N-CA-C 114.59 0.958 . . . . 0.0 114.59 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.04 163.42 18.35 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.556 1.942 . . . . 0.0 112.62 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -110.36 174.78 5.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.549 1.54 . . . . 0.0 114.531 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.82 32.23 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.337 2.255 . . . . 0.0 114.173 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -130.69 10.34 5.12 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.41 2.284 . . . . 0.0 110.8 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.3 p -112.63 -174.92 2.56 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.268 2.227 . . . . 0.0 110.718 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -30.87 -46.08 0.08 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.768 2.427 . . . . 0.0 116.944 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.4 p -59.4 -34.5 72.52 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.73 -22.38 24.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.887 0.875 . . . . 0.0 111.844 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 mt -61.81 -36.9 82.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.395 -0.815 . . . . 0.0 110.224 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -62.01 -27.06 68.6 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.82 -30.96 15.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.127 1.771 . . . . 0.0 112.749 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.12 -37.21 69.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.044 1.338 . . . . 0.0 114.302 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -72.23 113.13 17.92 Favored Pre-proline 0 CA--C 1.55 0.942 0 C-N-CA 123.803 0.841 . . . . 0.0 110.983 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -74.05 -35.64 4.02 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.585 2.19 . . . . 0.0 114.074 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -79.85 94.82 5.89 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.01 -1.057 . . . . 0.0 112.817 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 100.82 24.82 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.878 1 C-N-CA 131.752 4.021 . . . . 0.0 110.588 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -45.28 -44.03 11.06 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 -175.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 m -141.84 -3.95 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 126.334 1.854 . . . . 0.0 114.367 -178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 166.23 23.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.904 2.481 . . . . 0.0 111.759 -177.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -154.31 110.8 2.43 Favored Pre-proline 0 N--CA 1.471 0.611 0 C-N-CA 123.507 0.723 . . . . 0.0 111.194 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -85.19 0.56 8.75 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 123.804 3.003 . . . . 0.0 113.859 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 pp -141.45 138.44 17.52 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.85 -177.66 3.89 Favored 'Trans proline' 0 CA--C 1.547 1.149 0 C-N-CA 123.573 2.848 . . . . 0.0 111.452 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.2 m -59.61 27.15 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 129.307 3.043 . . . . 0.0 118.11 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.38 -18.92 31.49 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.63 -6.75 58.78 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.564 1.946 . . . . 0.0 113.711 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 mtt -112.2 24.46 12.56 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.424 1.489 . . . . 0.0 113.88 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.37 -28.0 69.47 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -140.91 17.48 2.3 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.155 1.382 . . . . 0.0 113.364 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -151.97 150.43 30.01 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.09 1.356 . . . . 0.0 113.038 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.7 tpp -151.4 159.76 44.08 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.65 1.58 . . . . 0.0 111.046 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 40.7 mt -72.03 162.02 30.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.246 1.018 . . . . 0.0 112.694 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -131.13 164.69 40.52 Favored Pre-proline 0 N--CA 1.472 0.65 0 C-N-CA 127.302 2.241 . . . . 0.0 110.298 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.94 -25.99 46.8 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.737 2.291 . . . . 0.0 113.966 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.27 -35.6 72.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.07 1.348 . . . . 0.0 112.549 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -73.52 -28.86 62.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.663 1.185 . . . . 0.0 111.775 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 7.5 mt -83.17 -41.43 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.666 1.187 . . . . 0.0 111.364 -178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.34 -3.0 34.46 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.071 -1.018 . . . . 0.0 112.893 177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.48 -59.35 2.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.759 1.624 . . . . 0.0 111.896 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -20.09 65.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -9.7 47.71 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.119 -0.988 . . . . 0.0 113.562 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -13.39 60.68 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.93 4.01 1.73 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.203 1.801 . . . . 0.0 115.189 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -45.14 116.0 2.76 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 126.647 1.979 . . . . 0.0 113.516 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.91 -16.45 32.72 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.3 2.667 . . . . 0.0 115.032 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 40.11 57.37 2.56 Favored Glycine 0 CA--C 1.545 1.96 0 C-N-CA 125.824 1.678 . . . . 0.0 116.492 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.1 -4.2 14.99 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.141 3.227 . . . . 0.0 115.461 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 125.442 1.497 . . . . 0.0 112.226 -179.702 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.1 pt . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.8 m -133.99 142.34 43.02 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 124.252 1.021 . . . . 0.0 112.093 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.6 -15.22 37.57 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.602 2.868 . . . . 0.0 113.63 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 23.4 p -61.25 -35.65 77.84 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.112 -0.992 . . . . 0.0 112.681 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.85 75.21 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.961 0.904 . . . . 0.0 112.4 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.62 -40.47 88.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 0.0 110.222 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -70.04 -37.54 75.6 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.815 -0.553 . . . . 0.0 110.954 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.02 -37.77 88.72 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.485 0.66 . . . . 0.0 110.814 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.99 -46.32 91.24 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.932 -1.105 . . . . 0.0 109.829 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.57 -44.79 96.38 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.88 0.764 . . . . 0.0 112.583 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -65.01 -33.82 76.97 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.466 1.03 . . . . 0.0 111.801 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 81.4 m -70.92 -43.01 69.15 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.732 1.213 . . . . 0.0 111.421 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.68 -41.64 81.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.307 1.443 . . . . 0.0 112.421 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -68.8 -13.5 62.44 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -67.4 156.34 88.72 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 119.361 0.982 . . . . 0.0 112.349 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.6 158.59 57.11 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.714 2.276 . . . . 0.0 111.826 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.8 m -55.87 117.79 4.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.409 1.484 . . . . 0.0 113.435 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.7 p -161.26 156.39 20.54 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 124.716 1.206 . . . . 0.0 112.319 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.49 -23.98 57.08 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.108 1.872 . . . . 0.0 112.094 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -65.05 -35.8 82.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.144 0.978 . . . . 0.0 111.145 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.6 -44.93 96.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.576 0.75 . . . . 0.0 110.837 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.51 -46.52 88.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.618 0.767 . . . . 0.0 110.679 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -60.13 -44.32 95.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.776 0.431 . . . . 0.0 111.589 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.65 -41.49 99.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.073 0.852 . . . . 0.0 112.813 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.9 t -60.25 -45.93 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.475 1.034 . . . . 0.0 110.02 175.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.61 -44.51 96.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.213 0.605 . . . . 0.0 111.465 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.03 -47.79 82.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.897 0.879 . . . . 0.0 111.378 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -47.47 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.828 1.251 . . . . 0.0 111.051 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.43 -43.2 91.2 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -58.55 -23.83 59.33 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 20.6 t -72.08 -20.96 61.57 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.99 . . . . 0.0 112.923 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.12 67.21 77.02 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 126.541 1.936 . . . . 0.0 112.591 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.42 -37.2 19.13 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 124.749 3.633 . . . . 0.0 116.036 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -44.26 -55.67 4.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.915 1.686 . . . . 0.0 113.929 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' 2098 ' ' MET . 3.2 pp -83.78 -34.19 24.83 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . 0.404 ' N ' HD12 ' A' 2097 ' ' LEU . 5.5 ptm -71.94 -34.45 69.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.313 0.961 . . . . 0.0 113.239 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.64 79.04 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.449 0.7 . . . . 0.0 111.005 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.39 92.12 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.713 -0.617 . . . . 0.0 110.674 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.51 -53.05 58.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.522 1.129 . . . . 0.0 112.347 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -60.93 -44.26 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.452 1.024 . . . . 0.0 110.748 178.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.52 -39.36 79.91 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.286 -0.884 . . . . 0.0 112.012 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -70.97 -40.35 71.98 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.41 -0.806 . . . . 0.0 111.704 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -69.8 -42.36 73.84 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.869 1.268 . . . . 0.0 114.304 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.8 t -57.98 -33.78 69.26 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.879 1.218 . . . . 0.0 112.852 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.75 -11.28 60.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.966 1.306 . . . . 0.0 114.342 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 N--CA 1.482 1.129 0 C-N-CA 127.17 2.188 . . . . 0.0 113.47 -176.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.2 p . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -44.26 -37.87 3.49 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.942 1.697 . . . . 0.0 115.315 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -58.59 -26.96 64.19 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.17 -26.44 14.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.055 0.942 . . . . 0.0 111.244 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.81 -30.88 71.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.941 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -57.35 -38.99 75.02 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.858 1.208 . . . . 0.0 111.954 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.73 -30.49 71.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.08 1.352 . . . . 0.0 113.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 124.529 1.132 . . . . 0.0 113.886 -179.815 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 120.849 0.356 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 133.22 19.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.6 1.56 . . . . 0.0 110.207 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 164.55 3.62 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 69.0 m -125.85 151.83 71.73 Favored Pre-proline 0 N--CA 1.473 0.68 0 C-N-CA 126.845 2.058 . . . . 0.0 110.792 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -61.98 -22.28 73.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.326 2.684 . . . . 0.0 115.019 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.55 -31.49 68.02 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.07 0.948 . . . . 0.0 112.924 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.26 -28.39 27.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 111.988 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.4 mt -73.21 -35.21 46.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 109.884 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.47 -1.31 26.57 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.25 -1.531 . . . . 0.0 113.431 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -46.52 13.05 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.883 -1.135 . . . . 0.0 113.527 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -22.71 61.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -16.81 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.583 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 31.5 pt . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.76 0.314 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.8 m -125.03 140.08 35.09 Favored Pre-proline 0 N--CA 1.473 0.725 0 C-N-CA 125.541 1.536 . . . . 0.0 109.98 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.82 -22.1 49.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.409 2.739 . . . . 0.0 114.223 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 30.5 p -59.5 -35.64 74.52 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.65 86.58 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.68 0.792 . . . . 0.0 112.074 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.01 -47.18 72.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.279 1.032 . . . . 0.0 109.516 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -61.58 -39.46 91.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.071 -0.393 . . . . 0.0 111.575 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.86 -35.18 78.08 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.717 -0.614 . . . . 0.0 112.069 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.19 -49.09 71.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.99 -37.46 74.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.014 0.926 . . . . 0.0 113.404 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -74.69 -31.29 61.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.979 1.263 . . . . 0.0 112.196 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.5 m -73.09 -45.3 57.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.689 1.196 . . . . 0.0 111.674 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.34 -36.26 73.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.984 1.714 . . . . 0.0 114.397 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -67.72 -19.64 65.17 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 74.3 m -78.86 163.01 62.78 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 119.128 0.876 . . . . 0.0 112.108 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.09 146.12 18.19 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.1 3.2 . . . . 0.0 114.383 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.4 p -72.49 135.39 45.67 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 112.957 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 75.7 p -164.77 159.09 15.13 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.708 1.603 . . . . 0.0 110.754 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.25 -33.43 90.94 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.571 2.181 . . . . 0.0 111.732 174.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -68.08 -43.01 79.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.471 1.108 . . . . 0.0 111.369 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -67.29 -40.25 86.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.562 -0.711 . . . . 0.0 111.19 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -58.39 -48.72 79.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.714 1.206 . . . . 0.0 109.579 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.35 -38.76 88.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.66 0.784 . . . . 0.0 111.785 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.79 -44.77 96.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.795 1.18 . . . . 0.0 112.014 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 91.6 t -64.12 -41.1 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.861 0.755 . . . . 0.0 110.178 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.59 -37.86 82.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.968 0.804 . . . . 0.0 111.298 174.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -62.06 -46.32 89.65 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.979 1.263 . . . . 0.0 110.593 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.59 -45.62 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.16 1.384 . . . . 0.0 110.608 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.65 -44.05 78.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.497 1.119 . . . . 0.0 112.52 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.83 -22.42 66.91 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.493 1.042 . . . . 0.0 112.922 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 8.9 t -84.0 -14.46 50.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.031 1.332 . . . . 0.0 112.093 174.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -137.08 58.4 17.94 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 127.215 2.206 . . . . 0.0 109.595 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.07 -14.37 44.84 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.178 2.586 . . . . 0.0 117.004 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -56.16 -44.39 79.25 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.47 1.486 . . . . 0.0 112.753 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 1.5 pp -80.97 -27.26 36.06 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.3 ttp -80.04 -45.83 17.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.658 0.783 . . . . 0.0 112.239 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.71 88.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 111.471 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.28 91.09 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.922 -0.486 . . . . 0.0 111.047 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.7 -52.9 62.41 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.982 0.913 . . . . 0.0 111.432 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.4 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.272 0.942 . . . . 0.0 112.793 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -55.5 -27.8 50.74 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.729 1.149 . . . . 0.0 113.024 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.77 -46.6 6.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.421 1.088 . . . . 0.0 111.367 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.97 67.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.364 1.466 . . . . 0.0 114.125 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 13.1 t -59.9 -34.32 73.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.831 1.252 . . . . 0.0 112.203 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.07 -11.0 58.24 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.442 1.097 . . . . 0.0 113.772 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 127.176 2.191 . . . . 0.0 112.867 -179.121 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.7 p . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -44.85 -43.23 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.9 p -66.55 -32.84 74.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.178 0.991 . . . . 0.0 113.67 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -80.09 -26.78 39.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.232 1.413 . . . . 0.0 112.444 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.29 -33.9 77.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.188 0.595 . . . . 0.0 111.522 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -59.51 -33.99 72.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.792 0.723 . . . . 0.0 112.721 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -66.59 -35.62 80.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.515 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 124.35 1.06 . . . . 0.0 112.786 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.456 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 32.3 tpp -146.42 149.03 32.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.728 1.211 . . . . 0.0 110.858 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.83 150.61 23.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.481 1.512 . . . . 0.0 113.311 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.2 m -125.93 167.37 17.05 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 127.266 2.226 . . . . 0.0 110.554 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -54.75 -26.68 48.5 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.251 1.967 . . . . 0.0 113.457 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.59 -34.93 69.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.325 1.45 . . . . 0.0 112.89 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -75.0 -28.68 60.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.573 1.149 . . . . 0.0 112.079 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.28 -45.31 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.32 1.448 . . . . 0.0 111.107 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.44 -3.54 11.69 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.87 -1.144 . . . . 0.0 113.003 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -46.28 16.53 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.098 1.359 . . . . 0.0 114.42 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -27.19 63.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -174.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -14.73 33.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.882 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 111.107 0.039 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 32.3 t -150.17 139.03 12.78 Favored Pre-proline 0 N--CA 1.474 0.751 0 O-C-N 121.484 -0.76 . . . . 0.0 112.481 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -65.67 -21.92 58.32 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.631 2.887 . . . . 0.0 113.69 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.2 p -63.62 -32.83 74.43 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.658 1.117 . . . . 0.0 112.519 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.8 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.078 0.951 . . . . 0.0 112.453 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.14 -36.73 80.14 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 110.222 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.46 -41.4 69.47 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.68 -0.637 . . . . 0.0 110.608 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.0 -32.94 74.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.577 1.151 . . . . 0.0 111.683 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.28 -49.89 73.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.632 1.173 . . . . 0.0 109.998 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.06 -44.64 94.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.907 -0.495 . . . . 0.0 111.901 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -65.73 -30.85 71.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.417 1.008 . . . . 0.0 112.171 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 94.4 m -68.49 -43.66 76.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.993 0.917 . . . . 0.0 110.311 174.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.44 -42.9 78.89 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.56 1.073 . . . . 0.0 111.59 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.07 -18.48 60.8 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 67.3 m -71.57 158.07 88.62 Favored Pre-proline 0 N--CA 1.476 0.868 0 C-N-CA 124.019 0.928 . . . . 0.0 112.718 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.5 157.5 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.46 2.107 . . . . 0.0 110.73 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 23.3 t -59.03 122.44 13.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.375 0.67 . . . . 0.0 111.733 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 98.7 p -162.91 158.83 18.9 Favored Pre-proline 0 N--CA 1.472 0.644 0 C-N-CA 125.169 1.388 . . . . 0.0 112.174 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.08 -27.78 73.82 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.911 1.74 . . . . 0.0 111.778 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.01 -43.51 92.27 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.8 0.84 . . . . 0.0 110.861 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.55 -47.37 84.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.582 0.628 . . . . 0.0 110.561 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.43 -44.76 89.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.322 0.649 . . . . 0.0 111.333 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -64.16 -41.65 97.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.433 0.693 . . . . 0.0 111.391 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.02 -41.1 97.71 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.377 0.989 . . . . 0.0 112.624 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 69.2 t -58.94 -47.3 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.126 0.875 . . . . 0.0 109.739 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.81 -44.24 97.14 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.259 0.624 . . . . 0.0 111.509 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -58.12 -50.58 73.01 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.92 0.888 . . . . 0.0 111.579 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.04 -47.47 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.144 1.377 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.0 -51.08 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.418 0.687 . . . . 0.0 111.191 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.04 -21.43 66.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.5 m -78.95 -9.62 59.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.961 0.905 . . . . 0.0 112.366 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -137.76 60.2 23.48 Favored Pre-proline 0 CA--C 1.558 1.26 0 C-N-CA 126.579 1.952 . . . . 0.0 110.873 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.56 -38.5 28.3 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.078 3.186 . . . . 0.0 116.35 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -52.69 -48.07 66.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.534 1.534 . . . . 0.0 113.266 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.69 -27.83 28.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.2 ppp? -79.86 -38.61 32.4 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.559 1.072 . . . . 0.0 113.057 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -69.49 -38.77 77.82 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.443 0.565 . . . . 0.0 112.045 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.42 75.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.478 0.711 . . . . 0.0 112.084 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 34.9 t80 -76.34 -53.19 8.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.039 1.336 . . . . 0.0 112.758 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -42.13 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.066 -1.021 . . . . 0.0 113.407 -177.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -59.06 -21.1 58.61 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -99.05 -36.51 9.68 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.758 0.708 . . . . 0.0 112.008 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -36.14 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.722 1.209 . . . . 0.0 112.346 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 9.6 t -55.57 -30.85 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.859 1.263 . . . . 0.0 113.524 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.98 -14.57 54.98 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 35.5 mmtp . . . . . 0 N--CA 1.474 0.755 0 C-N-CA 126.669 1.988 . . . . 0.0 113.17 -179.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -52.04 -35.95 48.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.873 1.269 . . . . 0.0 114.415 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -71.77 -37.78 70.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.24 -24.99 51.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.565 0.62 . . . . 0.0 112.529 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.07 -37.64 69.57 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.82 -0.61 . . . . 0.0 110.782 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -63.35 -31.15 72.22 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -76.91 -19.53 57.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.6 1.16 . . . . 0.0 113.721 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 N--CA 1.471 0.603 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -176.26 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 111.182 0.067 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 24.7 tpp -159.36 135.79 9.13 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.869 0.867 . . . . 0.0 112.057 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 156.64 17.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.116 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -133.98 162.65 56.4 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 126.568 1.947 . . . . 0.0 110.475 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -57.14 -21.68 44.05 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.605 2.203 . . . . 0.0 113.847 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -57.22 -34.7 68.81 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.682 1.193 . . . . 0.0 112.829 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.44 -28.53 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.728 1.211 . . . . 0.0 112.368 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 27.5 mt -83.54 -38.42 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.543 1.537 . . . . 0.0 111.065 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.35 3.86 3.39 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.771 -1.206 . . . . 0.0 113.229 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -54.5 5.04 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.046 1.339 . . . . 0.0 111.987 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -25.65 59.11 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -177.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -11.33 60.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 118.989 0.813 . . . . 0.0 113.035 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.689 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 29.8 pt . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.531 0.205 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 15.7 m -156.61 149.75 18.63 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 125.228 1.411 . . . . 0.0 111.017 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.61 -28.45 44.82 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.094 2.529 . . . . 0.0 113.703 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.8 p -58.37 -35.61 72.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.957 1.303 . . . . 0.0 113.139 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.56 71.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.873 0.869 . . . . 0.0 113.23 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.61 -36.43 73.5 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.532 -0.73 . . . . 0.0 110.54 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.76 -36.25 78.1 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.797 -0.565 . . . . 0.0 110.977 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.99 -38.68 91.75 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.504 -0.748 . . . . 0.0 111.029 174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.74 -47.51 85.97 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.331 -0.856 . . . . 0.0 109.578 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.69 -48.96 79.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.151 0.58 . . . . 0.0 112.171 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -64.55 -29.79 70.82 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.055 0.843 . . . . 0.0 112.985 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 33.4 m -77.78 -38.25 47.08 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.955 0.902 . . . . 0.0 111.243 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.18 -33.64 75.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.561 1.144 . . . . 0.0 111.692 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.64 -29.42 70.62 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 70.6 m -70.27 154.22 94.66 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.587 1.155 . . . . 0.0 111.863 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.43 150.66 84.21 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.757 2.304 . . . . 0.0 112.515 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 45.1 m -62.51 127.4 31.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.91 1.284 . . . . 0.0 113.369 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 89.3 p -160.74 156.68 22.26 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 126.469 1.908 . . . . 0.0 109.638 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -53.5 -34.66 73.22 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.466 2.11 . . . . 0.0 111.963 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -69.07 -48.55 62.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.276 1.431 . . . . 0.0 111.755 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -62.96 -41.59 99.57 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 0.0 110.893 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.22 -50.7 72.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.866 1.266 . . . . 0.0 109.762 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -59.0 -36.27 74.65 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.848 0.859 . . . . 0.0 112.22 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -62.91 -41.41 99.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.025 1.284 . . . . 0.0 112.202 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 85.3 t -62.5 -42.49 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.732 1.151 . . . . 0.0 109.898 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.77 -40.81 93.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.649 -0.657 . . . . 0.0 111.323 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.07 -44.29 96.22 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.887 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 50.4 mt -61.99 -39.53 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.916 1.287 . . . . 0.0 110.522 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.09 -44.88 68.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.411 -0.806 . . . . 0.0 111.084 175.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -62.38 -22.38 66.08 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.377 1.471 . . . . 0.0 113.756 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 68.1 m -69.21 -17.18 63.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.294 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.16 67.88 4.15 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 127.524 2.33 . . . . 0.0 109.807 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.44 -22.57 59.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.839 3.026 . . . . 0.0 116.043 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -43.9 -47.2 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.531 1.932 . . . . 0.0 114.031 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.25 -38.73 30.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.356 1.062 . . . . 0.0 113.552 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.1 ttp -65.34 -42.81 92.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.551 0.741 . . . . 0.0 112.013 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -57.24 -28.92 63.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.836 1.254 . . . . 0.0 114.113 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.45 81.4 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.483 -0.761 . . . . 0.0 112.78 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 10.9 t80 -76.54 -52.67 9.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.009 1.323 . . . . 0.0 112.803 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -57.47 -38.54 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -53.59 -27.22 25.41 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -97.32 -38.35 9.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.593 0.757 . . . . 0.0 111.472 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -59.44 -37.13 77.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.938 1.295 . . . . 0.0 112.939 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.2 t -54.49 -31.45 55.94 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.702 1.201 . . . . 0.0 113.585 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.89 49.8 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 10.2 tppt? . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 125.118 1.367 . . . . 0.0 114.034 -179.538 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.488 1.47 0 N-CA-C 116.618 2.081 . . . . 0.0 116.618 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -57.81 -39.78 78.41 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.847 2.459 . . . . 0.0 114.202 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' B' ' 23' ' ' TRP . 68.5 m -65.56 -30.92 71.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.296 1.039 . . . . 0.0 111.908 176.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -72.31 -27.13 62.25 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.08 1.352 . . . . 0.0 112.774 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.44 -37.1 82.49 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.854 -0.529 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . 0.475 ' CD1' ' HA ' ' B' ' 20' ' ' SER . 11.0 m95 -60.26 -31.68 70.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.481 0.582 . . . . 0.0 112.241 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.93 -44.12 64.15 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.196 1.399 . . . . 0.0 111.675 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt . . . . . 0 N--CA 1.47 0.553 0 C-N-CA 125.558 1.543 . . . . 0.0 114.477 -177.551 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 27.0 tpp -154.16 148.92 26.52 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.978 0.911 . . . . 0.0 112.983 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.18 159.56 11.83 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.55 1.54 . . . . 0.0 114.916 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.3 m -122.28 165.72 19.85 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.099 2.56 . . . . 0.0 111.47 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.45 -24.43 61.04 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.44 2.094 . . . . 0.0 114.035 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.83 -35.82 73.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.884 1.273 . . . . 0.0 112.075 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -70.93 -33.27 70.34 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.938 . . . . 0.0 111.588 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -75.36 -43.77 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.847 1.259 . . . . 0.0 111.024 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.48 -7.0 47.63 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.864 -1.148 . . . . 0.0 113.268 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -49.3 9.77 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.786 1.234 . . . . 0.0 113.333 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -24.01 62.15 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -174.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -9.72 50.52 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 57.8 m -84.55 134.79 41.75 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 123.311 0.644 . . . . 0.0 112.212 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.29 -25.83 36.08 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.754 2.303 . . . . 0.0 112.646 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 28.5 p -56.36 -34.05 66.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.453 1.101 . . . . 0.0 112.898 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.5 70.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.629 1.172 . . . . 0.0 112.94 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.5 -49.39 66.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.141 0.977 . . . . 0.0 109.847 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.45 -41.93 96.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.651 0.38 . . . . 0.0 111.394 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.73 -38.64 91.69 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.772 0.829 . . . . 0.0 112.204 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.57 -50.71 68.4 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.108 -0.995 . . . . 0.0 110.003 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.93 -45.26 94.46 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -60.53 -32.02 71.08 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.432 1.015 . . . . 0.0 111.824 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.0 m -75.52 -43.56 48.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.347 1.059 . . . . 0.0 111.196 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.14 -37.77 75.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.713 1.205 . . . . 0.0 112.337 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.92 -16.98 64.35 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.8 m -68.37 162.49 61.09 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.772 1.229 . . . . 0.0 112.305 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.91 153.0 73.43 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.09 1.86 . . . . 0.0 111.182 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 35.0 m -58.65 120.37 8.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.921 1.288 . . . . 0.0 113.156 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.9 p -160.23 159.18 26.61 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.118 0.967 . . . . 0.0 113.15 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -57.71 -33.83 97.31 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.589 2.193 . . . . 0.0 111.617 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -63.83 -43.99 94.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.986 1.314 . . . . 0.0 111.343 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.29 -49.29 76.22 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.653 0.781 . . . . 0.0 110.574 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.01 -47.88 81.71 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.218 0.607 . . . . 0.0 110.481 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.09 -40.53 89.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.926 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.53 -44.21 94.89 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.929 1.24 . . . . 0.0 112.6 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 59.2 t -63.43 -40.86 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 119.748 1.158 . . . . 0.0 110.205 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.08 -39.81 91.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.624 0.647 . . . . 0.0 111.224 174.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -62.1 -47.0 86.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 110.918 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.24 -44.5 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.134 1.374 . . . . 0.0 110.726 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.24 -42.69 79.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.115 0.966 . . . . 0.0 112.21 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.67 -23.11 67.24 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.231 1.012 . . . . 0.0 112.296 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 47.4 m -80.96 -8.35 59.74 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.516 1.126 . . . . 0.0 112.282 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -138.13 58.95 16.57 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.255 2.222 . . . . 0.0 110.53 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.21 -32.68 41.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.54 2.827 . . . . 0.0 115.923 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -50.9 -50.22 57.78 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.772 1.629 . . . . 0.0 112.76 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.77 -28.7 27.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 4.8 ttp -72.02 -52.18 18.19 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.19 0.596 . . . . 0.0 112.032 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.83 85.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.408 1.083 . . . . 0.0 112.325 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.7 95.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.901 0.48 . . . . 0.0 111.555 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.3 -52.68 21.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.575 0.75 . . . . 0.0 112.701 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -43.22 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.812 0.733 . . . . 0.0 112.776 -176.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 10.8 mtpm? -60.76 -19.42 59.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -98.54 -42.48 7.28 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.122 174.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -62.79 -36.93 84.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.388 1.475 . . . . 0.0 112.984 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -56.27 -29.68 61.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.14 0.976 . . . . 0.0 113.064 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.24 -13.46 28.34 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.58 1.152 . . . . 0.0 113.986 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 44.8 tptt . . . . . 0 N--CA 1.478 0.938 0 C-N-CA 126.759 2.024 . . . . 0.0 112.644 178.599 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 121.035 0.445 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -35.64 -43.03 0.26 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.239 2.215 . . . . 0.0 116.639 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -60.28 -34.49 73.82 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -90.62 -26.98 19.37 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.003 1.321 . . . . 0.0 111.411 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.4 -35.96 76.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.512 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -57.55 -36.23 71.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.447 1.022 . . . . 0.0 112.833 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.28 -31.88 49.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.178 1.391 . . . . 0.0 113.14 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 mt . . . . . 0 CA--C 1.537 0.442 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -175.716 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 31.9 tpp -151.14 159.88 44.2 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.744 0.817 . . . . 0.0 113.087 -174.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.54 149.38 48.83 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.834 0.854 . . . . 0.0 111.728 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -130.93 166.63 26.14 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 127.269 2.228 . . . . 0.0 111.046 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -54.86 -28.24 57.33 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.621 2.214 . . . . 0.0 113.95 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.45 -34.42 72.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.306 1.042 . . . . 0.0 112.843 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -77.28 -30.57 54.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.331 1.052 . . . . 0.0 111.884 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.64 -35.57 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.55 1.54 . . . . 0.0 111.471 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.67 -3.34 30.8 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.204 -1.56 . . . . 0.0 113.302 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -46.67 12.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.049 1.34 . . . . 0.0 114.303 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -19.65 55.31 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -173.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -12.7 36.2 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -174.84 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 37.7 t -162.47 145.29 8.64 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 123.963 0.905 . . . . 0.0 112.217 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -62.07 -19.73 67.31 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.026 2.484 . . . . 0.0 113.208 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.8 p -64.77 -32.36 74.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.152 -0.968 . . . . 0.0 111.808 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.67 -33.71 73.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.251 1.02 . . . . 0.0 112.538 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.28 -32.41 71.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.188 0.995 . . . . 0.0 109.79 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.06 -36.67 66.92 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.783 -0.573 . . . . 0.0 110.669 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -64.29 -34.33 77.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.391 -0.818 . . . . 0.0 111.196 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.53 -45.03 95.38 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.375 -0.828 . . . . 0.0 109.559 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.66 -48.41 81.92 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.791 -0.624 . . . . 0.0 111.856 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -62.94 -31.48 72.59 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 119.951 1.25 . . . . 0.0 112.353 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 97.9 m -69.63 -40.96 76.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.513 1.125 . . . . 0.0 111.102 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 31.1 tp -63.11 -38.74 92.37 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.231 -0.918 . . . . 0.0 110.352 174.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -74.57 45.39 0.24 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.507 1.923 . . . . 0.0 114.233 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 16.1 p -146.08 161.41 39.59 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.297 1.439 . . . . 0.0 111.606 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 157.44 39.19 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.817 2.345 . . . . 0.0 113.093 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.0 m -54.49 107.93 0.33 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.934 1.694 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -159.83 160.05 27.38 Favored Pre-proline 0 N--CA 1.472 0.668 0 C-N-CA 123.946 0.899 . . . . 0.0 112.804 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -59.72 -29.59 90.07 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.398 2.066 . . . . 0.0 111.889 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.023 0.929 . . . . 0.0 111.369 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.0 -44.96 95.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.25 0.62 . . . . 0.0 110.219 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.87 -40.93 97.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.829 0.852 . . . . 0.0 111.645 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -62.72 -40.02 95.87 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.678 -0.638 . . . . 0.0 110.694 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -61.16 -45.85 92.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.737 0.699 . . . . 0.0 110.671 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 95.1 t -58.18 -48.81 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 118.744 0.702 . . . . 0.0 110.244 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.25 -46.17 83.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.089 0.956 . . . . 0.0 111.465 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -60.04 -48.95 79.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.799 0.84 . . . . 0.0 111.835 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.89 -53.7 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.37 1.068 . . . . 0.0 110.073 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.77 -42.96 99.93 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.89 -26.64 68.41 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.255 1.389 . . . . 0.0 112.73 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 45.8 m -84.31 -6.46 59.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.409 1.084 . . . . 0.0 112.464 174.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -133.07 63.53 67.01 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.861 2.064 . . . . 0.0 110.131 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -57.76 -39.33 88.18 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.127 3.218 . . . . 0.0 114.525 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -41.62 76.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.01 -35.68 23.69 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.728 0.695 . . . . 0.0 112.758 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.3 -52.37 48.0 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.197 0.599 . . . . 0.0 112.233 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.449 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -65.62 -34.6 78.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.276 0.63 . . . . 0.0 111.547 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.05 96.66 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.605 -0.684 . . . . 0.0 110.743 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.74 -53.21 23.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.09 0.956 . . . . 0.0 113.093 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . 0.449 HG22 ' HA ' ' A' 2099 ' ' ALA . 0.1 OUTLIER -61.55 -42.87 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.719 1.145 . . . . 0.0 112.668 -177.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.92 -16.37 50.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.789 0.722 . . . . 0.0 112.935 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -99.14 -45.68 5.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 111.702 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.4 75.26 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.923 1.289 . . . . 0.0 112.711 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.2 t -51.46 -32.7 28.02 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.926 1.291 . . . . 0.0 112.858 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.93 -17.95 64.03 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.135 1.374 . . . . 0.0 114.344 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 N--CA 1.483 1.2 0 C-N-CA 127.02 2.128 . . . . 0.0 114.174 -175.387 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 63.2 p . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -48.48 -34.27 10.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.236 1.014 . . . . 0.0 113.684 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -62.58 -31.44 72.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.85 1.26 . . . . 0.0 113.893 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.72 -23.63 29.24 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 111.856 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.36 -34.61 75.59 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.479 -0.763 . . . . 0.0 110.825 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -58.75 -34.2 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.156 0.582 . . . . 0.0 112.265 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -77.73 -34.21 52.69 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.999 1.32 . . . . 0.0 112.217 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 124.439 1.096 . . . . 0.0 112.429 178.517 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 121.126 0.489 . . . . 0.0 111.701 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.7 tpp -142.03 132.98 25.91 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.88 1.272 . . . . 0.0 110.945 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.417 HD22 ' H ' ' B' ' 45' ' ' LEU . 2.8 mm? -60.56 175.34 0.47 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.354 3.062 . . . . 0.0 114.51 -176.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -126.67 164.89 31.77 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.618 2.367 . . . . 0.0 109.499 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -56.2 -28.63 71.93 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.356 2.037 . . . . 0.0 113.724 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -27.02 65.47 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.109 1.364 . . . . 0.0 113.419 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -91.49 -28.77 17.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 111.792 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 50.4 mt -81.78 -32.22 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.984 1.314 . . . . 0.0 111.297 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.91 2.62 4.09 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.64 -1.287 . . . . 0.0 112.998 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -78.47 -60.18 2.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.472 1.509 . . . . 0.0 113.104 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -20.79 61.59 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -172.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -9.96 59.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -177.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 19.0 pt . . . . . 0 N--CA 1.471 0.608 0 CA-C-O 120.459 0.171 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.4 m -145.23 136.57 12.65 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.687 1.195 . . . . 0.0 111.197 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.38 -24.46 31.38 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.008 2.472 . . . . 0.0 112.415 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 27.0 p -55.85 -31.5 62.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.065 0.946 . . . . 0.0 112.72 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.08 71.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.368 1.067 . . . . 0.0 112.194 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.67 -41.75 68.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.928 1.291 . . . . 0.0 110.487 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -67.05 -42.14 85.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.547 -0.721 . . . . 0.0 111.103 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -66.34 -29.45 69.64 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.671 -0.643 . . . . 0.0 112.353 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.35 -50.1 69.05 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.207 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 39.8 mt -59.61 -46.65 88.35 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 118.785 -0.626 . . . . 0.0 112.618 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.63 -29.71 70.24 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.599 1.09 . . . . 0.0 112.145 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 85.9 m -73.8 -41.71 61.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.481 1.112 . . . . 0.0 110.343 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.39 -33.99 74.6 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.588 1.555 . . . . 0.0 111.943 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -57.48 -27.29 62.38 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -66.04 160.18 65.34 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.901 1.28 . . . . 0.0 112.503 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.62 150.88 83.71 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.102 1.868 . . . . 0.0 111.392 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.6 m -55.54 122.61 11.68 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.715 1.606 . . . . 0.0 113.644 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 94.8 p -163.23 159.26 18.3 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -59.79 -28.13 86.54 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.901 2.401 . . . . 0.0 112.209 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -65.6 -44.08 87.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.017 0.927 . . . . 0.0 110.701 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -62.13 -46.41 89.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.171 0.989 . . . . 0.0 110.774 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.59 -50.41 70.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.974 1.31 . . . . 0.0 110.696 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.13 -40.67 98.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.114 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.44 -41.67 98.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.801 1.182 . . . . 0.0 112.7 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.7 t -64.72 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.754 1.161 . . . . 0.0 110.617 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.65 -43.53 97.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.837 0.744 . . . . 0.0 110.38 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.61 -46.62 89.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.686 0.794 . . . . 0.0 111.236 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.43 -45.94 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.158 1.383 . . . . 0.0 110.94 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.55 -43.91 75.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.857 0.863 . . . . 0.0 113.085 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.36 -13.88 59.57 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 61.8 m -81.36 -9.77 59.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.794 1.238 . . . . 0.0 112.553 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.3 p30 -148.41 61.75 5.98 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 127.832 2.453 . . . . 0.0 109.548 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -62.69 -15.91 49.56 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.631 2.888 . . . . 0.0 115.645 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -52.63 -47.65 66.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.256 1.422 . . . . 0.0 111.753 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.82 -28.01 28.36 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 15.5 tmm? -70.24 -47.12 62.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.764 0.826 . . . . 0.0 111.92 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.04 76.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.343 0.657 . . . . 0.0 112.062 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.07 -39.47 82.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.691 -0.631 . . . . 0.0 110.735 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 25.8 t80 -62.13 -52.52 63.53 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.962 0.905 . . . . 0.0 111.534 177.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -38.4 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.415 1.007 . . . . 0.0 111.949 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.87 -28.83 62.29 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.197 0.908 . . . . 0.0 112.884 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.99 -42.67 9.32 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.383 0.673 . . . . 0.0 111.633 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -32.72 73.3 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.158 1.383 . . . . 0.0 113.47 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.6 t -59.5 -31.27 69.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.594 1.157 . . . . 0.0 112.808 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.18 -13.69 40.25 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.5 1.12 . . . . 0.0 113.837 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 21.4 tptp . . . . . 0 N--CA 1.475 0.785 0 C-N-CA 126.558 1.943 . . . . 0.0 112.61 179.392 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.056 -0.021 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.93 -30.6 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.958 1.303 . . . . 0.0 113.488 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -56.28 -37.24 69.57 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.942 1.697 . . . . 0.0 113.128 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -83.0 -29.76 28.68 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.816 1.247 . . . . 0.0 111.918 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.01 -35.61 77.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.236 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -60.95 -30.68 70.38 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.593 1.088 . . . . 0.0 112.436 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -75.27 -23.2 57.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.984 1.314 . . . . 0.0 113.344 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 124.677 1.191 . . . . 0.0 113.499 178.846 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 122.068 0.937 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 138.74 55.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.882 0.873 . . . . 0.0 111.797 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.0 155.17 20.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.676 1.191 . . . . 0.0 112.999 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -135.76 167.31 22.74 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 127.211 2.204 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -55.09 -26.61 51.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.621 2.214 . . . . 0.0 113.919 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.67 -33.41 71.53 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.469 1.107 . . . . 0.0 112.81 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -77.7 -35.86 51.73 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.291 1.036 . . . . 0.0 111.343 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 43.7 mt -73.23 -36.99 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.243 1.417 . . . . 0.0 111.166 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.86 -5.25 45.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 113.3 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -47.28 11.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -22.97 60.16 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -173.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -17.11 34.66 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 22.3 pt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 74.4 m -91.47 123.08 64.85 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 123.985 0.914 . . . . 0.0 109.168 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.93 -23.27 74.17 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.879 2.386 . . . . 0.0 114.139 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.3 p -64.32 -36.75 85.12 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.942 0.897 . . . . 0.0 112.314 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.18 74.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.386 1.074 . . . . 0.0 112.433 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -42.32 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.013 0.925 . . . . 0.0 110.029 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.55 -37.77 74.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.865 -0.522 . . . . 0.0 111.256 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -65.98 -31.0 71.66 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.502 -0.749 . . . . 0.0 111.7 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.29 -44.17 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.829 -1.169 . . . . 0.0 109.845 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.21 -48.55 79.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.902 -0.571 . . . . 0.0 112.357 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -60.87 -34.41 74.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.676 1.125 . . . . 0.0 111.704 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.3 m -69.54 -43.82 72.2 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.391 1.076 . . . . 0.0 110.832 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.47 -40.54 93.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.057 1.343 . . . . 0.0 112.483 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.29 -33.12 75.24 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.292 1.037 . . . . 0.0 113.603 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 36.1 m -72.63 159.95 84.06 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.496 1.118 . . . . 0.0 111.204 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -61.72 149.66 89.0 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.671 2.247 . . . . 0.0 113.461 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.5 t -77.86 147.57 35.07 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.274 1.429 . . . . 0.0 114.087 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 77.9 p -168.89 162.87 7.95 Favored Pre-proline 0 N--CA 1.473 0.689 0 C-N-CA 127.413 2.285 . . . . 0.0 109.931 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -56.2 -33.12 89.76 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.407 2.071 . . . . 0.0 111.731 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -67.37 -43.11 82.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.56 1.144 . . . . 0.0 110.64 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -64.47 -40.12 95.11 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.987 0.915 . . . . 0.0 111.438 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.44 -48.39 81.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.927 0.891 . . . . 0.0 109.919 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.78 -37.79 77.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.061 0.544 . . . . 0.0 111.658 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -60.8 -45.0 96.12 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.257 0.935 . . . . 0.0 112.516 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 94.7 t -64.85 -42.91 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.073 0.851 . . . . 0.0 110.277 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.01 -38.54 82.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.611 -0.681 . . . . 0.0 111.138 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.43 -46.11 84.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.756 1.162 . . . . 0.0 111.003 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.85 -44.97 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.974 1.31 . . . . 0.0 110.28 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.26 -46.38 77.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 112.166 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -62.33 -27.23 68.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.655 1.182 . . . . 0.0 112.533 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.5 m -77.84 -7.5 56.75 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.536 1.134 . . . . 0.0 112.639 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.83 61.39 35.36 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.256 2.222 . . . . 0.0 110.149 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.65 -37.7 21.03 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 124.182 3.254 . . . . 0.0 116.391 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -47.54 -47.85 27.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.852 1.661 . . . . 0.0 113.413 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.64 -30.72 26.65 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 22.8 ttp -80.01 -45.68 17.97 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.602 -0.686 . . . . 0.0 112.241 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.91 69.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -74.89 -37.92 62.01 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 122.996 0.518 . . . . 0.0 112.066 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.31 -49.47 27.31 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.116 0.967 . . . . 0.0 112.687 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -54.78 -37.53 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.64 0.776 . . . . 0.0 111.45 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.92 -20.76 62.61 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -94.58 -42.28 8.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.515 1.126 . . . . 0.0 109.967 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -38.33 80.57 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.203 1.401 . . . . 0.0 112.958 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -57.13 -32.87 66.8 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.147 0.979 . . . . 0.0 113.073 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.49 -19.05 65.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.628 0.771 . . . . 0.0 113.032 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' 2108 ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.474 0.767 0 C-N-CA 126.535 1.934 . . . . 0.0 111.982 177.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -47.2 -38.96 12.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.134 1.374 . . . . 0.0 114.571 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -65.19 -33.26 75.59 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.947 0.899 . . . . 0.0 113.094 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -76.13 -25.51 55.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.398 1.079 . . . . 0.0 112.662 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.91 -34.47 78.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.567 -0.708 . . . . 0.0 110.829 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -61.06 -32.94 72.56 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.221 0.609 . . . . 0.0 112.489 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -74.57 -32.23 62.33 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.067 1.347 . . . . 0.0 112.027 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt . . . . . 0 N--CA 1.472 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.31 177.25 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 120.378 0.132 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.94 140.41 28.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.052 -176.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.2 mt -69.01 167.46 15.87 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.965 0.888 . . . . 0.0 112.755 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.2 m -127.97 165.08 32.84 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 127.095 2.158 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.46 -24.09 59.31 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.03 1.82 . . . . 0.0 112.892 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.3 -33.13 67.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.391 1.476 . . . . 0.0 112.582 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -75.58 -30.17 59.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.418 1.087 . . . . 0.0 112.22 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.3 -40.22 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 110.397 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.46 -2.26 27.92 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.828 -1.17 . . . . 0.0 113.001 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -55.07 4.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.471 1.108 . . . . 0.0 112.944 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -26.48 67.9 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -174.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -16.93 43.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . 0.521 HG22 ' CD ' ' A' 2096 ' ' GLN . 1.4 pp . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 52.0 m -129.04 131.88 24.0 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.177 0.991 . . . . 0.0 112.945 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.47 -21.92 19.06 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.39 2.727 . . . . 0.0 113.495 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 33.1 p -73.73 -30.78 63.02 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.611 1.164 . . . . 0.0 113.605 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.71 73.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.987 0.812 . . . . 0.0 111.467 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.25 -44.29 79.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.514 1.526 . . . . 0.0 109.623 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.959 -0.463 . . . . 0.0 111.419 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.81 -33.78 76.81 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.359 1.064 . . . . 0.0 111.628 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.28 -49.17 72.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.95 -47.08 83.97 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -61.52 -26.96 68.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.411 1.005 . . . . 0.0 112.878 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 62.9 m -81.55 -42.27 20.4 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.952 1.301 . . . . 0.0 111.305 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 44.4 tp -56.73 -28.41 61.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.756 1.622 . . . . 0.0 113.007 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -59.71 -23.19 62.95 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.6 m -73.43 149.44 88.82 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.219 1.007 . . . . 0.0 111.011 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.32 153.94 73.93 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.959 2.439 . . . . 0.0 113.98 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 46.1 m -55.57 119.92 6.42 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.305 1.842 . . . . 0.0 113.42 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -166.84 161.69 11.28 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 125.25 1.42 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.72 -32.37 83.79 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.571 2.181 . . . . 0.0 111.788 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.96 -49.34 75.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.087 1.355 . . . . 0.0 111.033 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -62.2 -46.94 86.69 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.563 1.145 . . . . 0.0 110.747 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.98 -50.49 73.89 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.665 0.786 . . . . 0.0 111.607 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.31 -39.91 94.57 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.157 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -63.41 -47.35 82.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.037 1.289 . . . . 0.0 111.718 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.5 t -58.73 -43.71 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.894 0.77 . . . . 0.0 110.681 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.73 -40.29 95.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.797 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.57 -43.68 97.02 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.899 1.227 . . . . 0.0 110.779 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.7 -47.19 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.443 1.097 . . . . 0.0 109.86 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.23 -36.25 83.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.911 0.885 . . . . 0.0 112.781 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.67 -19.29 62.17 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.657 -1.277 . . . . 0.0 113.392 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.7 m -83.98 -4.21 58.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.381 1.073 . . . . 0.0 112.566 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.11 65.94 7.65 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 128.478 2.711 . . . . 0.0 107.933 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.7 -27.59 68.62 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.961 2.441 . . . . 0.0 113.967 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . 0.521 ' CD ' HG22 ' A' 2063 ' ' ILE . 0.0 OUTLIER -29.8 -71.53 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 128.847 2.859 . . . . 0.0 115.067 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . 0.502 ' H ' ' CG ' ' A' 2096 ' ' GLN . 3.3 pp -71.49 -34.7 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.254 2.222 . . . . 0.0 114.527 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 38.6 ttp -68.99 -45.09 71.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.72 0.691 . . . . 0.0 111.223 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.77 -46.1 91.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 111.665 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.73 84.46 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.527 -0.733 . . . . 0.0 112.037 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.37 -53.29 20.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.511 0.724 . . . . 0.0 111.946 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.14 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.367 0.985 . . . . 0.0 111.535 -177.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -58.04 -25.78 61.63 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.13 -37.44 9.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.363 1.065 . . . . 0.0 112.176 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -29.22 67.29 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.513 1.525 . . . . 0.0 113.385 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.6 t -57.17 -34.56 68.59 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.238 1.015 . . . . 0.0 112.127 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -61.16 -14.53 25.64 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.089 1.356 . . . . 0.0 113.674 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmtp . . . . . 0 N--CA 1.474 0.77 0 C-N-CA 126.995 2.118 . . . . 0.0 113.196 -178.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -40.01 -49.99 2.53 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.4 m -61.71 -36.69 81.64 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -87.6 -25.02 23.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.292 0.496 . . . . 0.0 112.08 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.14 -33.23 68.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.544 0.738 . . . . 0.0 110.621 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -69.33 -46.49 66.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.903 0.774 . . . . 0.0 111.62 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.69 -30.9 71.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 113.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 124.783 1.233 . . . . 0.0 113.508 177.796 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 21.6 tpp -158.06 161.19 38.0 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.181 1.392 . . . . 0.0 111.089 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.02 127.13 31.79 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.822 0.849 . . . . 0.0 110.775 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -83.38 163.55 49.47 Favored Pre-proline 0 N--CA 1.47 0.557 0 C-N-CA 125.371 1.468 . . . . 0.0 110.824 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.9 -27.39 84.72 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 121.735 1.623 . . . . 0.0 111.172 175.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -36.01 76.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.603 1.961 . . . . 0.0 112.897 175.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.57 -30.92 69.8 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.566 -0.709 . . . . 0.0 111.608 176.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mt -79.82 -40.35 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.755 1.222 . . . . 0.0 111.492 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.21 -0.24 16.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.566 -1.334 . . . . 0.0 113.512 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -51.19 7.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.859 1.264 . . . . 0.0 114.022 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -25.38 62.46 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.03 -9.98 51.74 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.109 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 44.8 pt . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 111.366 0.136 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -132.79 148.84 71.08 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.451 1.1 . . . . 0.0 113.12 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.84 -25.59 32.96 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.657 2.905 . . . . 0.0 114.259 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.1 p -58.27 -36.51 73.37 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.769 1.628 . . . . 0.0 113.186 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.68 -41.9 82.51 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.634 1.173 . . . . 0.0 112.736 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -34.64 76.21 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.059 0.544 . . . . 0.0 111.502 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.21 -40.43 82.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.899 -0.5 . . . . 0.0 110.374 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.2 -34.39 77.92 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.792 0.837 . . . . 0.0 111.151 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.55 -44.01 83.51 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.407 -0.808 . . . . 0.0 109.974 175.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.66 -48.63 80.91 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.717 0.69 . . . . 0.0 111.595 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -63.19 -35.0 78.85 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.383 0.992 . . . . 0.0 111.871 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.4 m -62.11 -48.53 79.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.22 1.008 . . . . 0.0 110.361 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.18 -37.61 88.1 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.736 0.815 . . . . 0.0 112.094 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -63.31 -35.48 80.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.6 0.76 . . . . 0.0 112.706 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.9 m -70.62 152.25 95.32 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 110.662 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.51 152.48 80.02 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.949 2.433 . . . . 0.0 114.501 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 14.0 p -61.85 133.66 55.74 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.038 1.735 . . . . 0.0 114.356 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 92.3 p -168.77 161.3 8.37 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 126.574 1.95 . . . . 0.0 110.44 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.63 -34.9 75.48 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.668 2.245 . . . . 0.0 111.83 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -66.59 -39.95 88.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.756 1.222 . . . . 0.0 111.506 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -45.04 87.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.414 0.686 . . . . 0.0 111.065 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -61.11 -44.7 96.95 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.228 1.011 . . . . 0.0 110.58 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.1 -36.86 85.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.965 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -58.32 -40.48 82.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.194 0.906 . . . . 0.0 111.849 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 92.1 t -60.89 -46.66 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.81 0.732 . . . . 0.0 109.972 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.92 -36.84 77.87 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.828 0.74 . . . . 0.0 111.955 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -63.06 -47.62 82.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.365 0.984 . . . . 0.0 110.923 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.46 -46.12 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.462 1.505 . . . . 0.0 110.595 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.36 -43.62 85.48 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.055 0.942 . . . . 0.0 111.842 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -66.17 -19.63 65.89 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.955 1.252 . . . . 0.0 113.388 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.5 m -80.26 -8.55 59.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.01 0.924 . . . . 0.0 111.873 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -140.33 62.74 20.69 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 127.681 2.392 . . . . 0.0 109.405 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -56.33 -28.66 73.22 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.144 2.563 . . . . 0.0 115.497 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -51.49 -48.15 62.99 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.938 1.295 . . . . 0.0 112.874 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.58 -32.6 36.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.0 ppp? -80.33 -37.86 31.7 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.624 1.102 . . . . 0.0 113.673 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.72 70.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.665 0.666 . . . . 0.0 112.028 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.46 -42.39 78.83 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.998 -0.439 . . . . 0.0 111.002 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.75 -52.87 63.27 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 111.979 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -37.89 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.089 0.858 . . . . 0.0 113.244 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -52.86 -32.77 46.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.304 0.956 . . . . 0.0 113.129 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -95.3 -40.72 9.4 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.805 0.842 . . . . 0.0 111.349 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -61.65 -30.98 71.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.0 t -55.46 -31.69 62.17 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.41 1.005 . . . . 0.0 112.775 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.88 58.97 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.042 1.337 . . . . 0.0 113.924 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmmt . . . . . 0 N--CA 1.481 1.113 0 C-N-CA 127.661 2.384 . . . . 0.0 113.433 -176.064 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -54.01 -40.03 66.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.524 0.73 . . . . 0.0 112.247 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -60.85 -35.5 76.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.385 1.074 . . . . 0.0 112.773 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -77.39 -30.85 53.85 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.71 -40.31 72.24 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.707 -0.621 . . . . 0.0 110.7 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -67.21 -15.68 63.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -88.65 -31.6 18.46 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.138 0.975 . . . . 0.0 111.078 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 CA--C 1.54 0.567 0 C-N-CA 124.517 1.127 . . . . 0.0 112.939 -179.503 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttm -158.3 155.29 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.015 1.326 . . . . 0.0 111.865 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.53 167.95 8.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.965 1.306 . . . . 0.0 113.43 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.408 ' HB2' ' HD2' ' B' ' 47' ' ' PRO . 21.9 p -133.62 171.84 8.4 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 128.552 2.741 . . . . 0.0 110.602 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' B' ' 46' ' ' SER . 44.0 Cg_endo -62.5 -22.98 74.69 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 121.566 1.511 . . . . 0.0 112.495 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.0 -30.65 71.65 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.526 1.13 . . . . 0.0 111.863 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.28 -28.57 57.08 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.68 -36.06 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.89 0.73 50.07 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.459 -0.776 . . . . 0.0 112.77 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.12 -57.87 3.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.781 -1.199 . . . . 0.0 111.821 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -23.6 66.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -174.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.04 -13.64 35.52 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . 0.404 ' CG2' HE21 ' A' 2096 ' ' GLN . 37.5 pt . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 16.8 m -154.74 146.87 17.33 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.844 1.258 . . . . 0.0 111.502 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.79 -19.87 26.88 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.608 2.872 . . . . 0.0 113.612 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 35.4 p -57.74 -33.68 68.71 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.298 0.954 . . . . 0.0 112.788 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.28 67.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.425 1.09 . . . . 0.0 112.752 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.03 -46.07 68.88 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.967 0.907 . . . . 0.0 109.974 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.22 -38.71 91.26 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.493 -0.755 . . . . 0.0 110.837 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -37.94 88.02 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.522 0.729 . . . . 0.0 111.787 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.42 -49.09 75.12 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.646 0.778 . . . . 0.0 109.286 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.49 -47.34 84.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.284 0.633 . . . . 0.0 112.402 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -62.97 -27.24 69.26 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.184 0.902 . . . . 0.0 112.916 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 91.5 m -79.07 -43.69 23.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.465 1.106 . . . . 0.0 110.992 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.36 -33.45 74.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.148 1.779 . . . . 0.0 112.887 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 55.5 mttm -72.73 40.99 0.09 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.203 1.801 . . . . 0.0 114.411 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.7 m -147.1 168.69 10.8 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 128.138 2.575 . . . . 0.0 110.801 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -54.6 149.99 37.33 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.95 3.1 . . . . 0.0 114.738 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 74.6 m -73.09 126.7 30.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.371 1.068 . . . . 0.0 112.382 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.4 p -163.88 158.45 16.62 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 124.923 1.289 . . . . 0.0 111.909 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.89 -23.98 74.25 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 121.888 1.725 . . . . 0.0 111.633 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.82 -42.36 77.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.181 0.992 . . . . 0.0 110.61 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.86 -45.97 91.46 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.681 -0.637 . . . . 0.0 109.824 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.53 -45.27 89.22 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.21 0.604 . . . . 0.0 110.788 176.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.15 -42.69 91.3 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.54 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -63.9 -42.61 97.39 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.893 1.224 . . . . 0.0 111.908 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 76.9 t -62.1 -42.5 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.332 0.969 . . . . 0.0 110.355 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.76 -39.32 93.8 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.405 -0.81 . . . . 0.0 111.379 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.86 -44.07 97.52 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.403 1.001 . . . . 0.0 110.514 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 56.0 mt -63.93 -42.17 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.426 1.491 . . . . 0.0 110.922 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 -36.1 69.17 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.324 1.05 . . . . 0.0 113.11 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.22 -24.8 60.43 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.752 1.221 . . . . 0.0 113.969 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.8 m -78.61 -6.77 56.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.462 1.105 . . . . 0.0 113.325 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -146.79 64.68 9.4 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 127.615 2.366 . . . . 0.0 109.356 -178.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -62.07 -23.54 75.75 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.506 2.804 . . . . 0.0 115.673 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . 0.404 HE21 ' CG2' ' A' 2063 ' ' ILE . 4.5 mp0 -45.87 -47.64 16.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.148 1.379 . . . . 0.0 113.562 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.01 -34.71 24.25 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 7.4 ptm -80.17 -34.64 37.38 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.489 1.04 . . . . 0.0 113.317 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.77 81.75 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.387 0.54 . . . . 0.0 111.764 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.08 83.14 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.617 -0.677 . . . . 0.0 111.499 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.77 -52.94 61.25 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.637 0.375 . . . . 0.0 111.862 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -43.24 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 118.937 0.79 . . . . 0.0 111.846 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -63.07 -14.84 53.22 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.71 -41.74 7.55 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.495 1.118 . . . . 0.0 110.346 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -58.0 -42.04 84.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.404 1.882 . . . . 0.0 112.052 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.1 t -58.17 -30.09 66.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.173 1.389 . . . . 0.0 113.937 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.39 75.07 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.095 -1.003 . . . . 0.0 112.975 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 26.9 tptp . . . . . 0 N--CA 1.478 0.946 0 C-N-CA 124.521 1.128 . . . . 0.0 112.136 177.076 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.9 p . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.55 -34.04 3.1 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.703 1.601 . . . . 0.0 113.985 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -53.99 -36.64 63.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.526 1.13 . . . . 0.0 113.338 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.06 -26.33 27.05 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.56 -38.77 88.68 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.755 -0.591 . . . . 0.0 109.675 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -66.12 -20.95 66.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -83.02 -6.34 59.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.531 1.133 . . . . 0.0 112.407 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 CA--C 1.54 0.589 0 C-N-CA 125.552 1.541 . . . . 0.0 112.481 -178.795 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 N--CA 1.474 0.746 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.5 tpp -160.51 166.98 28.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.22 1.808 . . . . 0.0 110.687 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.02 175.21 1.27 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.235 1.414 . . . . 0.0 113.285 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -131.98 160.87 65.89 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 128.083 2.553 . . . . 0.0 110.014 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -56.08 -22.62 40.19 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.138 1.892 . . . . 0.0 112.014 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.19 -35.76 74.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 112.393 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.44 -30.3 68.19 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.006 0.922 . . . . 0.0 111.765 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 11.0 mt -77.71 -45.56 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.477 1.111 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.29 -5.29 38.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.48 -0.762 . . . . 0.0 112.979 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -59.99 2.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.794 1.238 . . . . 0.0 112.628 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -26.43 68.1 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -172.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -10.28 49.08 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . 0.422 HG23 HE21 ' A' 2096 ' ' GLN . 39.2 pt . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 75.0 m -141.33 139.83 19.67 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.29 1.436 . . . . 0.0 110.419 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -64.3 -25.71 64.23 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.1 2.533 . . . . 0.0 113.694 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.4 p -65.01 -35.13 80.19 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.923 1.289 . . . . 0.0 113.464 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.8 74.02 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.678 -0.639 . . . . 0.0 112.237 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.9 -34.99 74.26 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.538 -0.727 . . . . 0.0 110.356 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.88 -34.24 76.28 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.502 -0.748 . . . . 0.0 110.069 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.68 -31.04 71.46 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.157 0.983 . . . . 0.0 111.213 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.6 tt -68.09 -39.39 82.89 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.797 -1.19 . . . . 0.0 109.349 172.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.77 -41.21 99.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.421 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -59.75 -31.24 69.46 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.141 1.791 . . . . 0.0 111.743 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 36.2 m -72.84 -42.77 63.41 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.258 1.423 . . . . 0.0 110.238 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.59 -40.62 97.48 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.857 1.263 . . . . 0.0 111.575 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -71.6 6.86 1.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.548 1.539 . . . . 0.0 113.878 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.8 m -121.69 150.62 55.71 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.283 1.833 . . . . 0.0 110.825 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -69.35 152.18 71.42 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.293 2.662 . . . . 0.0 114.435 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.0 m -61.05 136.9 58.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.685 1.594 . . . . 0.0 114.013 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 79.4 p -166.09 164.0 11.59 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.827 2.051 . . . . 0.0 109.724 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.01 -32.97 88.07 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.362 2.042 . . . . 0.0 111.711 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -68.86 -44.26 73.69 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.231 . . . . 0.0 110.784 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.54 98.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.812 0.845 . . . . 0.0 111.049 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.34 -47.01 85.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.42 1.088 . . . . 0.0 110.533 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -64.92 -38.82 92.24 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.901 -0.499 . . . . 0.0 112.019 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -57.96 -48.03 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.371 0.987 . . . . 0.0 111.354 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 93.3 t -57.5 -49.75 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.703 0.683 . . . . 0.0 110.315 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.28 -42.89 96.41 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.86 -47.76 81.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.256 0.934 . . . . 0.0 111.732 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 70.4 mt -62.4 -43.13 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 110.834 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.7 mt -66.73 -46.56 75.07 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.612 -0.68 . . . . 0.0 111.394 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -63.35 -19.57 64.75 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.133 -0.979 . . . . 0.0 113.307 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 59.9 m -78.17 -7.93 57.67 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.102 0.961 . . . . 0.0 111.968 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -137.44 58.02 15.92 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 127.33 2.252 . . . . 0.0 110.863 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.35 -35.43 44.37 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 123.688 2.926 . . . . 0.0 115.967 -175.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . 0.422 HE21 HG23 ' A' 2063 ' ' ILE . 4.1 mp0 -52.23 -48.68 65.02 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.207 1.403 . . . . 0.0 112.928 -178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -35.34 23.93 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -73.13 -36.14 66.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.477 1.035 . . . . 0.0 113.451 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.9 83.94 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.975 0.807 . . . . 0.0 111.795 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.99 62.73 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 122.035 -0.416 . . . . 0.0 110.325 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.83 -52.86 63.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.145 0.978 . . . . 0.0 113.508 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -58.37 -42.31 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.932 0.787 . . . . 0.0 110.745 -179.163 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -66.16 -26.07 67.25 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.021 -1.049 . . . . 0.0 113.259 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.71 -43.54 62.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.931 1.241 . . . . 0.0 109.569 171.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -45.05 89.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.164 1.786 . . . . 0.0 112.717 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 1.8 t -61.76 -38.33 87.6 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.316 1.447 . . . . 0.0 113.05 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.28 -11.91 17.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.361 1.064 . . . . 0.0 113.204 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 128.251 2.621 . . . . 0.0 112.068 179.773 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 120.832 0.348 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.54 -36.3 10.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -64.06 -23.69 67.42 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.434 1.094 . . . . 0.0 113.903 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -90.83 -28.32 18.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.193 0.997 . . . . 0.0 111.281 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.52 -32.94 69.31 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.425 -0.797 . . . . 0.0 111.595 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -64.44 -32.14 73.64 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.853 0.751 . . . . 0.0 112.302 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -84.4 -30.33 25.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.887 1.675 . . . . 0.0 113.587 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -177.265 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -155.16 147.05 23.43 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.266 1.426 . . . . 0.0 111.376 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.7 163.35 19.26 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.359 1.064 . . . . 0.0 112.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.3 m -131.0 155.93 80.86 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 126.594 1.958 . . . . 0.0 110.138 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.28 -25.21 79.61 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.722 2.282 . . . . 0.0 113.808 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.92 -35.01 74.0 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.041 0.936 . . . . 0.0 112.555 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.61 -28.88 64.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.099 0.96 . . . . 0.0 111.639 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 21.8 mt -82.55 -42.13 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.198 1.399 . . . . 0.0 111.364 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.08 -2.83 13.97 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.263 -1.523 . . . . 0.0 113.587 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -44.35 20.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.951 1.3 . . . . 0.0 113.897 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -18.34 55.14 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -9.2 50.92 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.481 1.109 0 C-N-CA 125.184 1.394 . . . . 0.0 114.699 -178.815 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 3.9 pt . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -125.21 142.68 42.12 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.67 -18.68 37.3 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.656 2.904 . . . . 0.0 113.013 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 18.1 p -54.27 -35.53 62.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.426 1.09 . . . . 0.0 112.134 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.88 62.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.286 1.435 . . . . 0.0 113.233 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.6 mp -68.43 -43.32 77.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.018 0.927 . . . . 0.0 110.408 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -68.45 -42.5 78.74 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.947 -0.47 . . . . 0.0 110.841 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -63.64 -35.86 81.92 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.771 -0.581 . . . . 0.0 111.965 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.84 -49.9 68.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.199 -0.938 . . . . 0.0 109.322 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.79 -39.33 88.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.483 -0.77 . . . . 0.0 112.838 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -67.39 -31.65 72.01 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.221 1.373 . . . . 0.0 111.658 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.3 m -72.0 -38.3 69.68 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.884 1.274 . . . . 0.0 111.514 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.08 -36.39 70.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.342 1.457 . . . . 0.0 111.334 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.49 -26.51 65.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.2 m -64.81 154.9 84.53 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.189 0.996 . . . . 0.0 113.165 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -72.55 169.0 22.88 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.817 2.345 . . . . 0.0 111.027 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.7 m -62.99 97.26 0.1 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.862 1.265 . . . . 0.0 110.843 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 46.4 p -148.52 159.18 39.3 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -67.79 -18.92 47.53 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.366 2.044 . . . . 0.0 111.631 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -68.27 -40.13 81.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.294 -0.879 . . . . 0.0 110.048 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -63.94 -42.75 97.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.524 0.73 . . . . 0.0 110.52 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -56.59 -49.21 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.843 0.857 . . . . 0.0 110.404 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.81 -41.97 92.46 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.16 0.436 . . . . 0.0 111.509 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -63.04 -44.33 96.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.21 0.913 . . . . 0.0 112.385 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.9 t -58.33 -45.89 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.626 0.648 . . . . 0.0 109.843 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.24 -41.76 98.71 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.635 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -57.29 -46.98 82.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.515 1.507 . . . . 0.0 111.466 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.0 -49.11 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.927 1.291 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.79 -39.43 80.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.819 0.847 . . . . 0.0 113.176 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -67.78 -16.68 64.24 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.773 1.17 . . . . 0.0 112.696 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 51.3 m -88.93 -8.89 53.33 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.715 1.206 . . . . 0.0 111.812 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -140.81 53.79 4.12 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 127.389 2.275 . . . . 0.0 110.057 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.84 -20.38 66.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.946 2.43 . . . . 0.0 115.121 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -55.02 -46.65 75.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.204 1.402 . . . . 0.0 111.546 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.58 -28.52 28.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.72 0.808 . . . . 0.0 112.777 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 47.6 ttp -69.72 -48.55 59.09 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.96 0.8 . . . . 0.0 112.535 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.27 70.63 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.934 -0.479 . . . . 0.0 111.311 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.15 -53.08 13.77 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.98 1.312 . . . . 0.0 112.818 178.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -47.24 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.834 0.854 . . . . 0.0 112.316 -176.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 24.8 mttt -62.52 -18.21 61.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.03 -41.29 7.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 110.742 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.96 -38.62 86.56 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.148 1.779 . . . . 0.0 112.62 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 11.8 t -54.18 -29.19 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.108 0.963 . . . . 0.0 113.121 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.46 58.03 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.7 mmmt . . . . . 0 N--CA 1.478 0.95 0 C-N-CA 126.789 2.036 . . . . 0.0 113.486 178.183 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -46.02 -33.01 3.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.244 1.417 . . . . 0.0 113.608 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.0 t -56.78 -33.01 66.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.259 1.424 . . . . 0.0 113.448 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.43 -25.78 51.01 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.145 0.978 . . . . 0.0 113.341 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.4 -37.54 87.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.058 0.543 . . . . 0.0 110.684 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -59.26 -27.78 66.12 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -74.99 -23.06 58.2 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.663 1.185 . . . . 0.0 112.207 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -174.724 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -157.73 155.84 30.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.712 1.605 . . . . 0.0 110.957 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 146.71 9.1 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.464 1.506 . . . . 0.0 113.565 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -150.82 169.44 9.26 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 127.401 2.281 . . . . 0.0 111.097 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.24 -28.18 51.03 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.934 2.423 . . . . 0.0 114.216 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.11 -35.49 71.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.051 1.34 . . . . 0.0 112.954 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.38 -30.0 66.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.978 0.911 . . . . 0.0 111.876 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 mt -81.76 -46.29 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.171 1.388 . . . . 0.0 111.722 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.56 -2.67 17.78 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -81.26 -60.06 2.42 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.11 1.364 . . . . 0.0 111.91 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -22.43 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -174.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -10.58 59.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.281 -0.887 . . . . 0.0 113.288 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.886 0 C-N-CA 125.172 1.389 . . . . 0.0 113.978 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 N--CA 1.475 0.816 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -128.67 136.19 28.75 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.031 0.932 . . . . 0.0 111.899 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.42 -22.17 39.55 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.939 2.426 . . . . 0.0 113.607 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.7 p -56.8 -33.88 67.13 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.366 0.985 . . . . 0.0 112.682 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.08 -31.6 69.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.962 1.305 . . . . 0.0 113.01 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.78 -42.09 77.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.863 0.865 . . . . 0.0 109.657 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -37.62 88.08 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.426 -0.797 . . . . 0.0 110.845 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -65.69 -36.13 82.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.6 -0.688 . . . . 0.0 112.102 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.55 -45.11 95.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.291 -0.881 . . . . 0.0 109.651 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.2 -44.56 95.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.772 -0.632 . . . . 0.0 112.319 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -63.13 -35.08 79.1 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.821 1.191 . . . . 0.0 111.645 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.2 m -66.56 -46.16 76.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.429 1.091 . . . . 0.0 110.528 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.93 -39.85 93.48 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -70.28 -16.2 62.99 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.0 m -82.98 157.71 65.86 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.611 1.164 . . . . 0.0 110.167 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.0 145.91 80.93 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.591 2.194 . . . . 0.0 113.698 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 52.8 m -64.0 132.68 51.35 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.596 . . . . 0.0 113.993 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 86.4 p -168.37 162.69 8.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 126.206 1.802 . . . . 0.0 110.856 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.12 -34.26 77.59 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.644 2.229 . . . . 0.0 111.725 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -67.96 -37.68 81.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.73 1.212 . . . . 0.0 111.291 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -66.67 -42.95 85.76 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.338 -0.851 . . . . 0.0 111.053 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.13 -46.58 87.99 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.824 0.85 . . . . 0.0 109.72 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.66 -37.03 77.63 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.131 0.972 . . . . 0.0 112.199 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -62.1 -43.21 99.34 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.245 1.384 . . . . 0.0 112.31 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 75.2 t -62.27 -42.59 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.474 1.034 . . . . 0.0 110.035 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.97 -39.28 88.96 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -62.17 -46.37 89.27 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.941 1.246 . . . . 0.0 111.183 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 65.1 mt -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.261 1.425 . . . . 0.0 110.341 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.48 -42.18 87.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.716 1.207 . . . . 0.0 112.0 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -63.42 -20.06 65.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.502 1.121 . . . . 0.0 112.998 176.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 46.5 m -87.06 -7.89 57.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.722 1.209 . . . . 0.0 112.174 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -141.17 57.37 7.54 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 128.036 2.534 . . . . 0.0 109.198 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.39 -21.9 69.32 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.187 2.591 . . . . 0.0 116.188 -171.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.55 -49.2 73.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.17 0.988 . . . . 0.0 112.096 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.72 -27.21 50.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 31.8 ttp -74.48 -49.35 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.609 0.763 . . . . 0.0 112.61 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.61 80.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.59 0.756 . . . . 0.0 112.006 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.72 87.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.5 0.72 . . . . 0.0 112.041 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 54.9 t80 -73.24 -52.7 13.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.715 0.806 . . . . 0.0 112.814 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -37.17 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.442 -0.786 . . . . 0.0 112.485 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -57.03 -23.59 47.52 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -98.64 -34.91 10.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.185 0.902 . . . . 0.0 111.942 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -63.16 -35.43 80.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.592 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 12.9 t -54.91 -34.11 62.8 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.039 0.836 . . . . 0.0 112.977 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -70.75 -9.89 58.29 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.701 1.201 . . . . 0.0 114.23 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 N--CA 1.476 0.871 0 C-N-CA 126.648 1.979 . . . . 0.0 113.025 179.769 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -44.58 -36.22 2.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.725 1.61 . . . . 0.0 114.164 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -59.55 -27.8 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.056 1.342 . . . . 0.0 113.78 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.29 -21.0 24.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.237 1.015 . . . . 0.0 112.189 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 mt -65.84 -33.58 76.19 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.285 -0.885 . . . . 0.0 110.305 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -58.67 -31.43 68.18 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -80.61 -13.77 58.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.686 1.594 . . . . 0.0 113.5 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.474 0.759 0 C-N-CA 125.253 1.421 . . . . 0.0 112.188 178.748 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.53 143.06 21.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.624 1.57 . . . . 0.0 110.14 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.64 154.28 21.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.635 1.174 . . . . 0.0 113.802 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -115.02 165.23 14.53 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 127.33 2.252 . . . . 0.0 111.775 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -58.75 -25.47 76.03 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.201 1.934 . . . . 0.0 113.453 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.33 -30.35 66.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 0.0 112.384 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.59 -28.03 56.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.609 1.564 . . . . 0.0 112.079 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 19.3 mt -79.87 -42.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 110.367 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.3 -1.3 14.84 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.254 -0.904 . . . . 0.0 113.316 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.17 -57.4 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 113.268 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -18.41 59.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -13.25 45.81 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -174.307 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 73.0 m -143.96 148.24 41.32 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 123.901 0.88 . . . . 0.0 112.212 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.84 -24.31 54.14 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.173 2.582 . . . . 0.0 113.115 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 22.2 p -60.58 -35.17 75.44 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.64 1.576 . . . . 0.0 113.169 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.673 0.789 . . . . 0.0 111.935 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.28 -31.27 65.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.524 0.73 . . . . 0.0 111.6 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.01 -40.37 65.24 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.397 -0.815 . . . . 0.0 110.207 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -66.29 -36.06 82.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 111.433 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.61 -50.26 73.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.104 0.962 . . . . 0.0 109.231 173.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.0 -46.4 89.39 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -61.84 -39.85 93.26 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.47 1.032 . . . . 0.0 111.434 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 54.0 m -67.19 -44.48 79.55 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 110.926 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.16 -40.69 90.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.584 1.154 . . . . 0.0 112.176 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -65.75 -31.48 72.49 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 60.4 m -64.26 158.45 64.75 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.297 1.039 . . . . 0.0 112.173 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -62.69 145.18 95.0 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.544 2.163 . . . . 0.0 111.997 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.7 t -65.92 134.52 53.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.393 1.077 . . . . 0.0 113.86 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.1 p -164.9 159.44 14.91 Favored Pre-proline 0 C--O 1.239 0.551 0 C-N-CA 126.781 2.033 . . . . 0.0 109.855 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -53.86 -35.59 80.16 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.465 2.11 . . . . 0.0 111.754 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -66.45 -40.62 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.057 1.343 . . . . 0.0 111.66 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -47.12 83.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.421 0.689 . . . . 0.0 110.963 176.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.61 -47.06 87.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.567 0.747 . . . . 0.0 110.367 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -57.66 -38.9 75.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.869 0.867 . . . . 0.0 112.293 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -62.54 -40.72 97.69 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.745 1.157 . . . . 0.0 112.374 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 47.4 t -65.61 -40.19 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.84 1.2 . . . . 0.0 110.164 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.95 -42.46 94.09 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.781 0.719 . . . . 0.0 110.645 174.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -61.44 -49.74 75.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.927 0.891 . . . . 0.0 110.867 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.25 -47.5 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.371 1.468 . . . . 0.0 111.047 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.2 -46.66 69.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.889 0.876 . . . . 0.0 112.823 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -64.24 -22.6 67.01 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 119.417 1.008 . . . . 0.0 113.05 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 15.5 t -79.29 -13.76 59.45 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 112.415 174.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -132.53 61.64 58.19 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 127.037 2.135 . . . . 0.0 109.343 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.59 -27.26 61.37 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.18 2.586 . . . . 0.0 116.093 -171.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -52.3 -49.78 63.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.106 . . . . 0.0 113.241 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.63 -32.49 31.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 19.3 tmm? -72.44 -46.63 54.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.02 0.827 . . . . 0.0 112.2 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.3 82.68 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.72 95.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.093 0.557 . . . . 0.0 111.395 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.06 -52.84 30.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.631 1.172 . . . . 0.0 112.806 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -41.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.92 -19.33 51.13 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -98.94 -49.51 4.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.584 1.154 . . . . 0.0 110.007 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.4 -35.49 67.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.585 1.154 . . . . 0.0 113.496 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.3 t -52.22 -31.82 33.82 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.186 1.394 . . . . 0.0 113.431 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.33 52.42 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.905 1.282 . . . . 0.0 114.19 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 42.9 tptt . . . . . 0 N--CA 1.48 1.026 0 C-N-CA 126.282 1.833 . . . . 0.0 113.941 -177.394 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.76 -40.84 73.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.287 2.635 . . . . 0.0 114.111 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -66.47 -30.75 71.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.245 1.018 . . . . 0.0 110.837 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.96 -21.62 54.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.277 1.031 . . . . 0.0 112.942 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.9 mt -68.21 -32.27 72.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.538 1.063 . . . . 0.0 111.678 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -61.14 -36.16 79.02 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.97 0.805 . . . . 0.0 111.61 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -70.47 -25.16 63.04 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.576 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.93 134.9 9.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.25 1.42 . . . . 0.0 108.951 175.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.58 133.41 52.25 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -101.99 163.92 16.82 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 126.968 2.107 . . . . 0.0 111.582 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -61.82 -27.36 80.37 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.799 1.666 . . . . 0.0 112.197 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.32 -38.32 88.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 112.435 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.85 -31.73 61.72 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.451 -0.78 . . . . 0.0 112.112 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 28.8 mt -74.94 -37.52 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 123.899 0.88 . . . . 0.0 110.536 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.05 -4.42 41.23 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.036 -1.665 . . . . 0.0 112.853 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -50.53 9.59 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.99 -1.069 . . . . 0.0 113.448 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -25.84 67.71 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -173.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -10.29 44.26 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -174.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 33.8 pt . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -130.35 132.42 24.02 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.061 0.944 . . . . 0.0 111.551 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.27 -21.15 42.03 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.061 2.507 . . . . 0.0 113.505 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 25.0 p -63.2 -31.97 73.25 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.676 1.19 . . . . 0.0 112.41 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.21 76.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.95 0.9 . . . . 0.0 111.869 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.29 -36.99 80.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.471 0.708 . . . . 0.0 111.217 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -66.58 -40.14 88.8 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.725 -0.61 . . . . 0.0 110.509 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -38.62 91.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.501 0.721 . . . . 0.0 111.169 174.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.65 -44.36 96.47 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.404 -0.81 . . . . 0.0 109.903 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.52 -43.91 97.65 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.233 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -65.21 -33.4 75.9 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.331 1.423 . . . . 0.0 111.735 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 90.6 m -65.14 -44.33 88.99 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 110.436 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.13 -44.18 92.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.302 1.441 . . . . 0.0 112.143 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.34 -26.58 65.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.455 1.102 . . . . 0.0 113.784 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.0 m -75.37 158.08 84.01 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.986 1.315 . . . . 0.0 111.667 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.13 147.94 84.61 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.919 2.413 . . . . 0.0 113.038 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 13.2 t -70.43 142.72 51.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.662 1.185 . . . . 0.0 113.919 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -170.96 163.32 5.38 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 127.605 2.362 . . . . 0.0 109.769 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -53.63 -35.32 77.13 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.347 2.031 . . . . 0.0 111.643 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.73 -43.06 85.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.125 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -63.94 -42.61 97.27 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -62.74 -43.56 98.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.827 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.52 -38.47 84.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.731 0.813 . . . . 0.0 111.752 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.51 -39.39 83.67 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.274 0.943 . . . . 0.0 113.007 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.15 -49.82 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 118.869 0.758 . . . . 0.0 110.054 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.51 -40.23 96.52 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.309 1.043 . . . . 0.0 110.963 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.55 -49.79 76.41 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.802 1.183 . . . . 0.0 111.264 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.04 -47.95 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.981 1.312 . . . . 0.0 110.856 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.0 -41.3 82.46 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.673 0.789 . . . . 0.0 112.972 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -64.93 -20.64 66.56 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.698 1.135 . . . . 0.0 112.734 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 7.7 t -85.01 -12.0 54.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.027 1.331 . . . . 0.0 111.875 174.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -134.97 57.96 24.72 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 127.352 2.261 . . . . 0.0 109.707 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.25 -22.88 74.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.926 2.417 . . . . 0.0 114.819 -173.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.22 -51.49 67.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.021 0.928 . . . . 0.0 111.462 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.91 -35.09 62.24 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 36.2 ttp -68.47 -46.88 68.56 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.856 0.753 . . . . 0.0 111.921 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.84 95.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.516 0.726 . . . . 0.0 111.535 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.91 93.17 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.894 -0.504 . . . . 0.0 111.268 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 7.6 t80 -65.78 -53.29 42.38 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.598 0.759 . . . . 0.0 112.025 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -42.29 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.705 1.138 . . . . 0.0 112.931 -176.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -62.19 -17.68 58.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -98.6 -45.99 5.88 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.287 1.435 . . . . 0.0 109.686 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -57.41 -45.6 84.4 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.036 1.735 . . . . 0.0 112.661 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 4.9 t -54.08 -25.43 21.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.345 1.458 . . . . 0.0 114.502 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.85 60.85 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.244 1.018 . . . . 0.0 113.707 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 56.5 tptt . . . . . 0 N--CA 1.479 1.001 0 C-N-CA 126.842 2.057 . . . . 0.0 113.862 -179.226 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -25.04 61.22 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.0 t -54.63 -36.54 64.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.266 1.026 . . . . 0.0 112.662 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.16 -21.31 62.19 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.149 0.98 . . . . 0.0 113.38 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.97 -34.17 71.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.908 -1.12 . . . . 0.0 110.082 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -67.3 -44.25 79.68 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.265 0.626 . . . . 0.0 112.242 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -63.87 -18.31 64.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 CA--C 1.542 0.664 0 C-N-CA 125.289 1.436 . . . . 0.0 113.693 179.267 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 121.243 0.544 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.49 143.86 24.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.651 1.58 . . . . 0.0 109.479 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.79 157.95 6.88 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -134.31 159.48 72.15 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 128.74 2.816 . . . . 0.0 108.984 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -57.5 -26.46 71.79 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.567 2.178 . . . . 0.0 114.067 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.71 -35.08 68.1 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.888 1.275 . . . . 0.0 113.509 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -74.76 -28.46 60.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.257 1.023 . . . . 0.0 112.622 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.6 mt -85.71 -39.13 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 125.296 1.438 . . . . 0.0 111.445 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.0 1.48 7.21 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.103 -0.998 . . . . 0.0 113.111 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -82.79 -60.41 2.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.116 1.366 . . . . 0.0 112.805 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -17.31 64.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -9.7 46.65 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.48 1.05 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.0 pt . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.319 0.118 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 71.2 m -138.12 137.98 22.18 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 124.299 1.04 . . . . 0.0 111.547 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.11 -22.61 40.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.11 2.54 . . . . 0.0 113.033 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.9 p -56.11 -32.46 64.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.301 1.04 . . . . 0.0 112.896 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.34 -33.36 72.29 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.839 1.256 . . . . 0.0 112.915 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.38 -45.17 80.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.364 1.066 . . . . 0.0 110.033 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -66.63 -41.49 88.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.102 0.561 . . . . 0.0 111.443 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.1 t0 -66.08 -38.36 88.08 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.629 -0.669 . . . . 0.0 111.885 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.57 -36.78 73.81 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.65 -1.281 . . . . 0.0 110.775 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.66 -48.78 79.27 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.07 0.85 . . . . 0.0 110.723 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -63.49 -33.65 76.05 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.185 0.902 . . . . 0.0 112.337 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 87.1 m -66.67 -46.93 74.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.303 1.041 . . . . 0.0 110.647 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.66 -39.86 89.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.501 1.12 . . . . 0.0 111.552 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -73.66 12.7 0.59 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.845 1.658 . . . . 0.0 115.456 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 33.3 m -123.9 157.64 62.64 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 125.972 1.709 . . . . 0.0 110.862 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -63.12 150.86 87.43 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.999 2.466 . . . . 0.0 113.677 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 17.7 t -64.33 129.3 39.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.362 1.065 . . . . 0.0 112.25 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -161.96 160.94 21.99 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.923 1.689 . . . . 0.0 110.573 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.54 -35.33 76.27 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.626 2.217 . . . . 0.0 111.727 173.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.4 -43.29 86.22 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 111.182 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.14 -48.98 77.71 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.543 0.737 . . . . 0.0 110.643 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.29 -45.29 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 111.204 176.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -62.44 -40.29 96.1 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 0.0 111.641 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -58.49 -45.43 88.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.955 0.798 . . . . 0.0 111.689 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 86.3 t -55.81 -51.92 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.49 -42.61 99.62 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.431 0.693 . . . . 0.0 111.363 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -58.35 -48.13 81.55 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 111.636 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.1 mt -63.71 -48.66 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.133 0.973 . . . . 0.0 111.422 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.98 -43.29 93.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.263 0.625 . . . . 0.0 111.896 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -67.77 -18.47 64.88 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.296 1.039 . . . . 0.0 112.877 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.0 m -82.88 -4.47 58.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.331 1.052 . . . . 0.0 112.003 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -139.3 56.17 8.36 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 126.571 1.948 . . . . 0.0 110.933 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.22 -37.33 39.26 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.936 3.091 . . . . 0.0 115.901 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -51.35 -50.41 59.55 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.51 1.524 . . . . 0.0 113.25 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.74 -27.26 29.05 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -47.2 16.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.994 1.318 . . . . 0.0 111.906 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -63.58 -33.03 74.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.119 0.968 . . . . 0.0 112.426 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.47 83.16 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.128 0.571 . . . . 0.0 111.95 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.59 -53.01 8.63 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 113.322 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' 2102 ' ' ILE . 0.2 OUTLIER -56.45 -43.01 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.239 0.616 . . . . 0.0 112.546 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -61.4 -15.1 33.4 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -97.78 -44.8 6.58 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.9 0.88 . . . . 0.0 109.763 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -59.55 -34.28 72.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.44 1.096 . . . . 0.0 113.102 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 8.9 t -56.62 -28.34 60.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.142 0.977 . . . . 0.0 113.364 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.77 -17.23 64.0 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.018 -1.051 . . . . 0.0 113.636 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 22.5 tptm . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 127.0 2.12 . . . . 0.0 111.971 -179.097 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.5 p . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -46.75 -27.36 1.17 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.315 1.846 . . . . 0.0 115.656 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -57.73 -32.56 67.55 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.554 0.742 . . . . 0.0 112.615 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -82.68 -24.53 33.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.337 1.055 . . . . 0.0 113.246 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.2 -36.22 82.91 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.33 -0.856 . . . . 0.0 110.35 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -63.72 -31.91 73.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.826 -0.546 . . . . 0.0 112.222 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.26 -35.66 41.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.351 1.46 . . . . 0.0 112.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.0 mt . . . . . 0 N--CA 1.469 0.525 0 C-N-CA 123.881 0.872 . . . . 0.0 112.742 177.199 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.3 tpp -149.49 164.26 35.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.188 1.395 . . . . 0.0 111.268 -177.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.93 144.02 9.29 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.726 1.211 . . . . 0.0 111.874 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.2 p -118.63 159.37 44.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 112.973 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.24 -24.9 76.43 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.417 2.078 . . . . 0.0 113.101 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.52 -32.0 73.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.526 1.13 . . . . 0.0 111.919 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.18 -28.49 63.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.436 1.095 . . . . 0.0 111.684 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -77.96 -46.37 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.271 1.028 . . . . 0.0 111.316 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.67 -3.63 12.72 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.75 -59.85 2.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.711 1.604 . . . . 0.0 112.827 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -26.7 65.32 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -172.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.84 -10.07 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -176.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.5 pt . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.3 m -128.24 138.46 33.05 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.146 0.978 . . . . 0.0 111.329 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 -24.66 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.139 2.559 . . . . 0.0 113.925 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 26.9 p -63.03 -34.04 76.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.913 1.285 . . . . 0.0 113.426 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.52 80.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.532 0.733 . . . . 0.0 111.537 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.5 -33.18 70.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.737 0.815 . . . . 0.0 111.811 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -69.35 -40.56 77.44 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.394 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.71 -35.42 80.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 111.188 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.29 -50.5 73.4 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.409 1.083 . . . . 0.0 109.532 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -46.86 82.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 113.048 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -66.08 -30.33 70.82 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.385 0.993 . . . . 0.0 112.521 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 58.2 m -70.31 -44.39 68.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.913 0.885 . . . . 0.0 110.376 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.45 -37.47 86.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.395 1.878 . . . . 0.0 113.367 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -62.87 -24.17 67.68 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.6 m -80.44 156.48 73.48 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.3 1.04 . . . . 0.0 111.021 175.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.37 147.44 94.92 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.843 2.362 . . . . 0.0 112.819 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.2 t -72.65 145.33 47.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 93.6 p -170.61 161.15 6.02 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 128.426 2.69 . . . . 0.0 108.888 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.68 -33.53 80.26 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.209 1.94 . . . . 0.0 111.805 174.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.35 -42.52 83.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.856 1.262 . . . . 0.0 111.191 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.63 -43.22 94.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.523 0.729 . . . . 0.0 110.551 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -61.58 -41.64 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.032 0.933 . . . . 0.0 111.43 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -56.0 -37.91 69.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.389 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -64.58 -43.63 93.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.663 1.12 . . . . 0.0 111.659 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 46.2 t -62.39 -43.57 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.234 0.925 . . . . 0.0 110.346 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.52 -41.25 94.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.778 0.831 . . . . 0.0 110.927 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.3 -45.89 89.27 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.155 0.889 . . . . 0.0 111.139 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -45.91 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.1 1.36 . . . . 0.0 110.448 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.62 -43.31 80.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.986 0.914 . . . . 0.0 111.894 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -65.37 -16.79 63.96 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.904 1.229 . . . . 0.0 113.41 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.2 m -87.35 -8.66 56.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.844 1.258 . . . . 0.0 111.987 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.84 54.67 5.79 Favored Pre-proline 0 CA--C 1.558 1.252 0 C-N-CA 128.117 2.567 . . . . 0.0 109.602 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.94 -23.14 71.69 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.213 2.608 . . . . 0.0 115.836 -172.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -48.74 -47.07 41.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.8 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.8 -31.34 25.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 11.1 ptm -78.9 -37.36 40.18 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.617 1.099 . . . . 0.0 112.949 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.25 84.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.823 0.738 . . . . 0.0 112.343 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.0 90.63 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 122.024 -0.423 . . . . 0.0 110.94 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.3 t80 -68.63 -51.47 41.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.876 1.27 . . . . 0.0 113.498 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -37.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-N 119.595 1.089 . . . . 0.0 112.757 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.49 -24.93 34.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.703 1.201 . . . . 0.0 113.218 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -98.9 -46.04 5.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.035 1.334 . . . . 0.0 111.109 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -32.96 64.87 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.674 1.189 . . . . 0.0 112.565 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.4 t -51.98 -29.77 22.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.316 1.046 . . . . 0.0 112.968 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.66 63.9 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.961 1.304 . . . . 0.0 113.862 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 127.325 2.25 . . . . 0.0 113.425 178.486 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.478 0.948 0 CA-C-O 120.286 0.089 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -45.58 -35.67 4.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.271 1.428 . . . . 0.0 114.696 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -62.06 -29.95 70.65 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.304 1.042 . . . . 0.0 113.267 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -83.31 -25.58 31.38 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.977 -1.077 . . . . 0.0 112.222 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.81 -28.38 68.96 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.393 -0.817 . . . . 0.0 111.453 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -67.29 -41.43 85.43 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.621 0.646 . . . . 0.0 110.297 171.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -67.61 -28.61 67.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.169 1.787 . . . . 0.0 113.584 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 mt . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 123.834 0.854 . . . . 0.0 112.343 175.18 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.0 tpp -151.26 154.41 36.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.832 1.253 . . . . 0.0 112.322 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.84 152.26 7.52 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -128.47 168.9 14.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 127.418 2.287 . . . . 0.0 111.277 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -58.05 -27.73 80.68 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.321 2.014 . . . . 0.0 112.459 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.13 -34.0 69.78 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.734 1.613 . . . . 0.0 112.732 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.15 -38.97 66.04 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.389 1.076 . . . . 0.0 111.367 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.69 -42.74 62.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.727 1.211 . . . . 0.0 111.24 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.51 -7.93 52.51 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.972 -1.08 . . . . 0.0 113.499 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -53.32 5.91 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.612 1.165 . . . . 0.0 113.493 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -22.01 65.61 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.37 48.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -176.663 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 49.2 pt . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.4 m -127.73 139.52 35.53 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 124.101 0.961 . . . . 0.0 111.773 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.21 -24.33 44.24 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.047 2.498 . . . . 0.0 113.071 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.9 p -55.81 -35.36 66.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 0.0 112.638 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.67 69.09 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.344 1.057 . . . . 0.0 113.055 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.44 -41.64 76.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.819 0.847 . . . . 0.0 110.016 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -68.68 -39.98 80.33 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.854 -0.529 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.563 -0.71 . . . . 0.0 112.173 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.94 -49.33 72.98 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.069 -1.019 . . . . 0.0 109.254 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.98 -45.83 91.43 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -61.97 -29.79 70.49 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.072 0.851 . . . . 0.0 112.021 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 60.3 m -78.65 -42.38 28.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.043 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 37.1 tp -57.68 -35.72 70.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.676 1.19 . . . . 0.0 111.718 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.82 -16.06 56.76 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.4 m -66.56 162.75 47.46 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.656 1.182 . . . . 0.0 111.885 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.31 161.34 43.53 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.296 1.997 . . . . 0.0 111.743 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 47.0 m -59.15 102.75 0.14 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.147 1.379 . . . . 0.0 110.874 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 82.2 p -159.27 156.98 26.92 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -174.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.24 -17.9 55.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.644 2.23 . . . . 0.0 112.489 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -64.5 -49.11 72.65 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.056 -1.027 . . . . 0.0 110.972 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.09 -35.72 80.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.804 0.729 . . . . 0.0 111.906 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -59.27 -50.5 73.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.033 1.333 . . . . 0.0 109.855 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -65.4 -42.67 92.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.599 0.76 . . . . 0.0 111.871 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.28 -42.82 99.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.789 1.177 . . . . 0.0 113.27 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 55.6 t -61.73 -42.07 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.113 1.324 . . . . 0.0 110.022 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.19 -38.99 91.21 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.584 0.629 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.88 -45.9 90.37 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.0 0.818 . . . . 0.0 110.885 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.74 -43.22 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 110.62 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.83 -32.39 70.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.019 0.928 . . . . 0.0 112.794 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -61.92 -24.37 66.93 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.729 1.149 . . . . 0.0 112.542 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 71.2 m -85.79 -3.81 59.0 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.503 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -138.55 54.8 7.27 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.069 2.148 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.46 -32.6 74.09 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.092 2.528 . . . . 0.0 116.315 -175.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -48.98 -49.12 42.17 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.649 1.579 . . . . 0.0 113.629 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.54 -31.21 26.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.85 -46.23 63.05 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.419 0.687 . . . . 0.0 111.678 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.85 98.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.145 0.978 . . . . 0.0 112.934 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.58 91.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.027 0.531 . . . . 0.0 111.441 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.2 t80 -69.64 -52.79 22.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.809 1.244 . . . . 0.0 112.822 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -35.03 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 118.769 0.713 . . . . 0.0 112.255 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.11 -30.33 59.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.06 0.846 . . . . 0.0 112.935 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -87.75 -42.11 12.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.509 0.724 . . . . 0.0 110.859 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -64.33 -33.1 75.06 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.3 t -59.03 -31.68 69.05 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 119.096 0.862 . . . . 0.0 112.668 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.43 -9.91 38.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.378 1.071 . . . . 0.0 113.641 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 N--CA 1.477 0.877 0 C-N-CA 127.521 2.328 . . . . 0.0 112.378 179.563 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 121.322 0.582 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -37.25 -44.39 0.58 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.164 2.186 . . . . 0.0 116.061 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t -56.61 -34.7 67.5 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.272 1.029 . . . . 0.0 113.539 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.96 -25.12 18.15 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 112.112 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -35.08 79.09 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.68 0.673 . . . . 0.0 110.499 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -58.08 -29.52 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.214 0.915 . . . . 0.0 112.851 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -81.66 -18.8 43.31 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.37 1.468 . . . . 0.0 114.337 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.077 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -150.12 142.01 23.82 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.816 0.846 . . . . 0.0 112.449 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.04 159.37 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.521 0.728 . . . . 0.0 111.919 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -119.37 151.84 51.85 Favored Pre-proline 0 N--CA 1.47 0.555 0 C-N-CA 126.228 1.811 . . . . 0.0 110.565 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -54.05 -24.91 34.5 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.023 2.482 . . . . 0.0 113.547 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.56 -35.19 71.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 112.809 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -73.77 -33.6 64.33 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.119 0.968 . . . . 0.0 111.486 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.53 -40.67 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.957 1.303 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.13 -4.77 51.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.873 -1.142 . . . . 0.0 113.242 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -54.54 5.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.588 1.155 . . . . 0.0 112.236 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -19.68 66.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -9.66 47.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 2064 ' ' SER . . . . . . . . . . . . . 4.6 m -155.2 148.76 18.64 Favored Pre-proline 0 N--CA 1.482 1.158 0 CA-C-N 119.726 1.148 . . . . 0.0 112.555 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.84 -21.34 33.28 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.518 2.812 . . . . 0.0 113.947 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2066 ' ' SER . . . . . . . . . . . . . 24.1 p -62.98 -34.48 77.62 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.124 -0.985 . . . . 0.0 112.481 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.17 72.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.07 0.948 . . . . 0.0 112.583 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.9 -41.51 87.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.287 1.035 . . . . 0.0 110.301 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.63 85.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.277 0.631 . . . . 0.0 111.08 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.3 t0 -66.82 -36.59 82.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.01 0.924 . . . . 0.0 110.835 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.29 -48.87 76.28 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.137 -0.977 . . . . 0.0 109.355 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.82 -44.63 82.23 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.644 -0.694 . . . . 0.0 112.253 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -63.87 -36.12 82.89 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.855 1.207 . . . . 0.0 111.94 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2074 ' ' THR . . . . . . . . . . . . . 56.7 m -70.4 -33.43 71.36 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.664 1.186 . . . . 0.0 111.707 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.19 -44.48 95.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 110.796 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.23 -24.76 67.78 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 152.11 67.21 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.28 153.31 66.62 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.799 2.333 . . . . 0.0 111.222 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2079 ' ' SER . . . . . . . . . . . . . 20.1 m -55.6 113.89 1.64 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.271 1.428 . . . . 0.0 112.726 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2080 ' ' SER . . . . . . . . . . . . . 97.6 p -160.84 158.33 24.31 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 124.758 1.223 . . . . 0.0 112.444 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.16 -24.42 65.97 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.051 1.834 . . . . 0.0 111.914 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.37 -39.22 92.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.794 0.837 . . . . 0.0 110.54 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.84 -46.59 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.797 -0.565 . . . . 0.0 109.894 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.65 -44.21 90.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.244 0.618 . . . . 0.0 111.101 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -63.34 -40.55 97.6 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.39 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -66.12 -39.9 90.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.95 1.25 . . . . 0.0 112.045 176.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 66.6 t -59.3 -47.12 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.111 0.868 . . . . 0.0 109.303 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.8 -48.38 81.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.319 0.648 . . . . 0.0 111.19 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.2 -48.27 79.21 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.551 1.069 . . . . 0.0 112.053 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.7 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.968 1.307 . . . . 0.0 110.875 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.86 -43.68 71.38 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -67.43 -17.05 64.56 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.78 1.232 . . . . 0.0 114.211 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2093 ' ' SER . . . . . . . . . . . . . 12.2 t -72.09 -26.27 62.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 111.631 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.75 68.65 8.35 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 127.623 2.369 . . . . 0.0 109.173 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.07 -8.02 21.52 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.489 2.792 . . . . 0.0 115.887 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.94 -58.64 4.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.129 1.771 . . . . 0.0 111.367 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.77 -29.65 70.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.77 1.628 . . . . 0.0 113.94 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2098 ' ' MET . . . . . . . . . . . . . 46.7 ttp -76.52 -46.17 27.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.553 -0.717 . . . . 0.0 111.202 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.9 78.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.445 1.098 . . . . 0.0 111.565 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.25 96.82 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.624 0.77 . . . . 0.0 111.554 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 33.5 t80 -70.84 -50.77 31.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 113.304 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -33.63 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.926 -1.109 . . . . 0.0 113.594 -176.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.54 -29.8 62.34 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -94.65 -31.59 13.77 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.632 0.651 . . . . 0.0 112.136 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -67.34 -37.55 83.43 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.131 0.972 . . . . 0.0 113.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.7 t -56.3 -34.86 66.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.38 1.072 . . . . 0.0 112.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.78 -16.95 62.51 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 113.674 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 N--CA 1.475 0.797 0 C-N-CA 126.441 1.896 . . . . 0.0 112.414 178.411 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.3 p . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 110.718 -0.105 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -30.87 -46.08 0.08 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.768 2.427 . . . . 0.0 116.944 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.4 p -59.4 -34.5 72.52 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.73 -22.38 24.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.887 0.875 . . . . 0.0 111.844 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 mt -61.81 -36.9 82.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.395 -0.815 . . . . 0.0 110.224 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -62.01 -27.06 68.6 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.82 -30.96 15.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.127 1.771 . . . . 0.0 112.749 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt . . . . . 0 CA--C 1.539 0.529 0 C-N-CA 125.044 1.338 . . . . 0.0 114.302 -179.466 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.7 tpp -151.4 159.76 44.08 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.65 1.58 . . . . 0.0 111.046 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 40.7 mt -72.03 162.02 30.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.246 1.018 . . . . 0.0 112.694 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -131.13 164.69 40.52 Favored Pre-proline 0 N--CA 1.472 0.65 0 C-N-CA 127.302 2.241 . . . . 0.0 110.298 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.94 -25.99 46.8 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.737 2.291 . . . . 0.0 113.966 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.27 -35.6 72.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.07 1.348 . . . . 0.0 112.549 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -73.52 -28.86 62.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.663 1.185 . . . . 0.0 111.775 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 7.5 mt -83.17 -41.43 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.666 1.187 . . . . 0.0 111.364 -178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.34 -3.0 34.46 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.071 -1.018 . . . . 0.0 112.893 177.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.48 -59.35 2.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.759 1.624 . . . . 0.0 111.896 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -20.09 65.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -9.7 47.71 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.119 -0.988 . . . . 0.0 113.562 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo . . . . . 0 CA--C 1.54 0.799 0 N-CA-C 114.886 1.071 . . . . 0.0 114.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -72.57 -24.64 61.13 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 53.5 ptt85 -149.07 176.52 10.4 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.816 1.246 . . . . 0.0 113.827 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 37.0 m -77.54 172.86 12.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.351 1.461 . . . . 0.0 112.905 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.1 pt -135.45 175.35 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 127.442 2.297 . . . . 0.0 110.217 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.8 m -133.99 142.34 43.02 Favored Pre-proline 0 N--CA 1.477 0.893 0 C-N-CA 124.252 1.021 . . . . 0.0 112.093 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -69.6 -15.22 37.57 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.602 2.868 . . . . 0.0 113.63 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 23.4 p -61.25 -35.65 77.84 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.112 -0.992 . . . . 0.0 112.681 177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.85 75.21 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.961 0.904 . . . . 0.0 112.4 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.62 -40.47 88.78 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.446 1.098 . . . . 0.0 110.222 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -70.04 -37.54 75.6 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.815 -0.553 . . . . 0.0 110.954 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 8.2 t0 -65.02 -37.77 88.72 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.485 0.66 . . . . 0.0 110.814 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.0 tt -60.99 -46.32 91.24 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.932 -1.105 . . . . 0.0 109.829 174.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.57 -44.79 96.38 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.88 0.764 . . . . 0.0 112.583 177.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -65.01 -33.82 76.97 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.466 1.03 . . . . 0.0 111.801 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 81.4 m -70.92 -43.01 69.15 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.732 1.213 . . . . 0.0 111.421 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 56.8 tp -57.68 -41.64 81.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.307 1.443 . . . . 0.0 112.421 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -68.8 -13.5 62.44 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -67.4 156.34 88.72 Favored Pre-proline 0 N--CA 1.477 0.897 0 CA-C-N 119.361 0.982 . . . . 0.0 112.349 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.6 158.59 57.11 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 122.714 2.276 . . . . 0.0 111.826 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.8 m -55.87 117.79 4.0 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.409 1.484 . . . . 0.0 113.435 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.7 p -161.26 156.39 20.54 Favored Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 124.716 1.206 . . . . 0.0 112.319 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -65.49 -23.98 57.08 Favored 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 122.108 1.872 . . . . 0.0 112.094 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -65.05 -35.8 82.31 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.144 0.978 . . . . 0.0 111.145 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.6 -44.93 96.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.576 0.75 . . . . 0.0 110.837 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -59.51 -46.52 88.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.618 0.767 . . . . 0.0 110.679 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -60.13 -44.32 95.01 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 122.776 0.431 . . . . 0.0 111.589 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.65 -41.49 99.08 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.073 0.852 . . . . 0.0 112.813 178.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.9 t -60.25 -45.93 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.475 1.034 . . . . 0.0 110.02 175.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.61 -44.51 96.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.213 0.605 . . . . 0.0 111.465 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -58.03 -47.79 82.01 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.897 0.879 . . . . 0.0 111.378 177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -47.47 91.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.828 1.251 . . . . 0.0 111.051 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 87.1 mt -65.43 -43.2 91.2 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -58.55 -23.83 59.33 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 20.6 t -72.08 -20.96 61.57 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.99 . . . . 0.0 112.923 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.12 67.21 77.02 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 126.541 1.936 . . . . 0.0 112.591 -177.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.42 -37.2 19.13 Favored 'Trans proline' 0 C--N 1.356 0.966 0 C-N-CA 124.749 3.633 . . . . 0.0 116.036 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -44.26 -55.67 4.71 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.915 1.686 . . . . 0.0 113.929 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' 2098 ' ' MET . 3.2 pp -83.78 -34.19 24.83 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . 0.404 ' N ' HD12 ' A' 2097 ' ' LEU . 5.5 ptm -71.94 -34.45 69.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.313 0.961 . . . . 0.0 113.239 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -68.66 -41.64 79.04 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.449 0.7 . . . . 0.0 111.005 177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.39 92.12 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.713 -0.617 . . . . 0.0 110.674 175.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 42.6 t80 -63.51 -53.05 58.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.522 1.129 . . . . 0.0 112.347 176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -60.93 -44.26 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 119.452 1.024 . . . . 0.0 110.748 178.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -58.52 -39.36 79.91 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.286 -0.884 . . . . 0.0 112.012 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -70.97 -40.35 71.98 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.41 -0.806 . . . . 0.0 111.704 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -69.8 -42.36 73.84 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.869 1.268 . . . . 0.0 114.304 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.8 t -57.98 -33.78 69.26 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.879 1.218 . . . . 0.0 112.852 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.75 -11.28 60.12 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.966 1.306 . . . . 0.0 114.342 175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -133.76 9.13 3.89 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 127.17 2.188 . . . . 0.0 113.47 -176.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.04 140.77 58.88 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.315 1.846 . . . . 0.0 112.437 -176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 86.2 t -134.58 110.64 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 125.128 1.371 . . . . 0.0 109.188 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -94.46 8.72 41.11 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.513 2.042 . . . . 0.0 116.513 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.93 -179.47 6.63 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -132.34 151.26 77.98 Favored Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 125.176 1.391 . . . . 0.0 112.433 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -74.23 175.87 10.36 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.077 3.184 . . . . 0.0 113.529 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -64.55 93.47 0.14 Allowed Glycine 0 CA--C 1.534 1.234 0 C-N-CA 125.708 1.623 . . . . 0.0 113.947 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.62 171.94 11.21 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.109 1.763 . . . . 0.0 112.21 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 125.006 1.323 . . . . 0.0 111.727 -177.601 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 CA--C 1.54 0.8 0 N-CA-C 113.995 0.729 . . . . 0.0 113.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -144.25 -174.04 4.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.606 1.962 . . . . 0.0 111.177 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 94.3 p -134.76 166.24 23.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.495 1.118 . . . . 0.0 113.284 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.408 ' H ' ' CD ' ' B' ' 16' ' ' GLN . 0.3 OUTLIER -67.86 7.03 0.58 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.607 1.563 . . . . 0.0 113.04 173.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -102.16 -14.54 17.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.184 1.394 . . . . 0.0 112.04 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.2 p -80.04 167.14 20.81 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.397 1.479 . . . . 0.0 113.77 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -44.26 -37.87 3.49 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.942 1.697 . . . . 0.0 115.315 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 16.6 m -58.59 -26.96 64.19 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.17 -26.44 14.2 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.055 0.942 . . . . 0.0 111.244 176.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 75.7 mt -62.81 -30.88 71.81 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.941 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -57.35 -38.99 75.02 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.858 1.208 . . . . 0.0 111.954 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -65.73 -30.49 71.16 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.08 1.352 . . . . 0.0 113.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 86.6 mt -76.14 -14.96 60.16 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.529 1.132 . . . . 0.0 113.886 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.67 155.67 81.15 Favored Pre-proline 0 CA--C 1.554 1.131 0 C-N-CA 124.511 1.124 . . . . 0.0 112.648 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.68 43.65 0.68 Allowed 'Trans proline' 0 CA--C 1.546 1.105 1 C-N-CA 125.547 4.165 . . . . 0.0 115.141 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.55 -5.3 5.24 Favored 'General case' 0 CA--C 1.551 1.008 0 O-C-N 119.835 -1.79 . . . . 0.0 114.221 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -124.28 14.92 9.01 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.615 2.366 . . . . 0.0 113.315 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -142.28 178.79 7.33 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.643 1.177 . . . . 0.0 112.647 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.25 114.09 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 123.47 1.605 . . . . 0.0 107.443 173.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 47.4 mt -103.96 -67.92 0.87 Allowed 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 111.57 -2.559 . . . . 0.0 111.16 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 5.2 m -62.96 150.28 88.41 Favored Pre-proline 0 CA--C 1.543 0.678 0 C-N-CA 126.86 2.064 . . . . 0.0 113.582 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -77.69 -0.81 10.99 Favored 'Trans proline' 0 CA--C 1.546 1.089 0 C-N-CA 123.823 3.015 . . . . 0.0 114.25 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -142.65 155.78 63.34 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 125.863 1.665 . . . . 0.0 112.353 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -77.91 -169.41 0.75 Allowed 'Trans proline' 0 CA--C 1.546 1.097 0 C-N-CA 124.305 3.337 . . . . 0.0 112.821 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 12.2 m -50.36 -17.53 0.48 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.183 2.193 . . . . 0.0 116.109 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -64.91 -1.78 2.21 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.064 1.746 . . . . 0.0 114.434 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.15 -19.48 20.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.359 2.264 . . . . 0.0 115.355 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 7.4 mtt -70.38 9.56 0.59 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -56.97 -28.08 61.92 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.173 1.789 . . . . 0.0 114.385 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.16 17.86 2.26 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.838 1.255 . . . . 0.0 113.834 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -149.86 138.61 20.89 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.043 1.337 . . . . 0.0 111.908 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.17 133.22 19.24 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.6 1.56 . . . . 0.0 110.207 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.75 164.55 3.62 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 69.0 m -125.85 151.83 71.73 Favored Pre-proline 0 N--CA 1.473 0.68 0 C-N-CA 126.845 2.058 . . . . 0.0 110.792 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -61.98 -22.28 73.98 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 123.326 2.684 . . . . 0.0 115.019 -177.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.55 -31.49 68.02 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.07 0.948 . . . . 0.0 112.924 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.26 -28.39 27.25 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.21 1.004 . . . . 0.0 111.988 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 36.4 mt -73.21 -35.21 46.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 123.995 0.918 . . . . 0.0 109.884 177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.47 -1.31 26.57 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.25 -1.531 . . . . 0.0 113.431 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -46.52 13.05 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.883 -1.135 . . . . 0.0 113.527 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.25 -22.71 61.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -173.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.41 -16.81 28.36 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -60.89 -21.49 63.37 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -176.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.5 -7.63 48.73 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.12 1.368 . . . . 0.0 113.93 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -54.73 118.41 16.91 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 125.38 1.472 . . . . 0.0 112.917 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -77.73 58.32 6.38 Favored 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 124.787 3.658 . . . . 0.0 113.144 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.27 173.06 18.59 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.538 1.542 . . . . 0.0 114.066 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -81.98 -164.24 0.26 Allowed 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 124.77 3.647 . . . . 0.0 111.574 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 126.564 1.946 . . . . 0.0 111.951 -179.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 CA--C 1.54 0.815 0 N-CA-C 114.035 0.744 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -151.03 173.64 14.09 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.026 2.13 . . . . 0.0 109.924 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -75.6 55.89 0.86 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 125.913 1.685 . . . . 0.0 112.559 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 49.7 m -136.35 157.96 45.56 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 126.933 2.093 . . . . 0.0 111.503 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 31.5 pt -144.59 171.75 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.51 1.524 . . . . 0.0 111.745 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.8 m -125.03 140.08 35.09 Favored Pre-proline 0 N--CA 1.473 0.725 0 C-N-CA 125.541 1.536 . . . . 0.0 109.98 177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.82 -22.1 49.8 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.409 2.739 . . . . 0.0 114.223 -177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 30.5 p -59.5 -35.64 74.52 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.39 -37.65 86.58 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.68 0.792 . . . . 0.0 112.074 176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.5 mp -67.01 -47.18 72.24 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.279 1.032 . . . . 0.0 109.516 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -61.58 -39.46 91.25 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 122.071 -0.393 . . . . 0.0 111.575 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -67.86 -35.18 78.08 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.717 -0.614 . . . . 0.0 112.069 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.19 -49.09 71.11 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.319 -0.863 . . . . 0.0 109.414 173.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.99 -37.46 74.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.014 0.926 . . . . 0.0 113.404 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -74.69 -31.29 61.84 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 119.979 1.263 . . . . 0.0 112.196 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.5 m -73.09 -45.3 57.97 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.689 1.196 . . . . 0.0 111.674 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 57.4 tp -58.34 -36.26 73.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.984 1.714 . . . . 0.0 114.397 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -67.72 -19.64 65.17 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 74.3 m -78.86 163.01 62.78 Favored Pre-proline 0 N--CA 1.475 0.818 0 CA-C-N 119.128 0.876 . . . . 0.0 112.108 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -50.09 146.12 18.19 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.1 3.2 . . . . 0.0 114.383 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.4 p -72.49 135.39 45.67 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.304 1.042 . . . . 0.0 112.957 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 75.7 p -164.77 159.09 15.13 Favored Pre-proline 0 N--CA 1.472 0.64 0 C-N-CA 125.708 1.603 . . . . 0.0 110.754 177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.25 -33.43 90.94 Favored 'Trans proline' 0 CA--C 1.539 0.741 0 C-N-CA 122.571 2.181 . . . . 0.0 111.732 174.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -68.08 -43.01 79.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.471 1.108 . . . . 0.0 111.369 177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -67.29 -40.25 86.05 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.562 -0.711 . . . . 0.0 111.19 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -58.39 -48.72 79.73 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.714 1.206 . . . . 0.0 109.579 173.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.0 tp60 -61.35 -38.76 88.11 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.66 0.784 . . . . 0.0 111.785 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -60.79 -44.77 96.38 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.795 1.18 . . . . 0.0 112.014 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 91.6 t -64.12 -41.1 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 CA-C-N 118.861 0.755 . . . . 0.0 110.178 175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 62.7 mt -60.59 -37.86 82.75 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.968 0.804 . . . . 0.0 111.298 174.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -62.06 -46.32 89.65 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.979 1.263 . . . . 0.0 110.593 175.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.59 -45.62 98.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.16 1.384 . . . . 0.0 110.608 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.65 -44.05 78.85 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.497 1.119 . . . . 0.0 112.52 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -63.83 -22.42 66.91 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.493 1.042 . . . . 0.0 112.922 176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 8.9 t -84.0 -14.46 50.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.031 1.332 . . . . 0.0 112.093 174.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -137.08 58.4 17.94 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 127.215 2.206 . . . . 0.0 109.595 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -65.07 -14.37 44.84 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.178 2.586 . . . . 0.0 117.004 -170.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -56.16 -44.39 79.25 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.47 1.486 . . . . 0.0 112.753 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 1.5 pp -80.97 -27.26 36.06 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.3 ttp -80.04 -45.83 17.64 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.658 0.783 . . . . 0.0 112.239 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -63.61 -37.71 88.36 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.944 0.898 . . . . 0.0 111.471 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.28 91.09 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.922 -0.486 . . . . 0.0 111.047 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 36.8 t80 -61.7 -52.9 62.41 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.982 0.913 . . . . 0.0 111.432 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -37.4 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.272 0.942 . . . . 0.0 112.793 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -55.5 -27.8 50.74 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.729 1.149 . . . . 0.0 113.024 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -96.77 -46.6 6.2 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.421 1.088 . . . . 0.0 111.367 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.97 67.88 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.364 1.466 . . . . 0.0 114.125 -179.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 13.1 t -59.9 -34.32 73.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.831 1.252 . . . . 0.0 112.203 176.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.07 -11.0 58.24 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 124.442 1.097 . . . . 0.0 113.772 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -126.27 14.78 7.78 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.176 2.191 . . . . 0.0 112.867 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.98 44.53 0.48 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.709 2.004 . . . . 0.0 113.52 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 14.5 p -133.23 110.51 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 128.101 2.56 . . . . 0.0 109.141 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -155.94 175.63 13.7 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.903 1.281 . . . . 0.0 112.453 -175.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 9.5 p30 -136.88 148.23 46.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.125 1.77 . . . . 0.0 110.288 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -74.82 130.99 80.07 Favored Pre-proline 0 CA--C 1.549 0.904 0 C-N-CA 123.039 0.536 . . . . 0.0 111.183 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.71 169.71 21.71 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.663 2.909 . . . . 0.0 113.449 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -151.91 35.55 0.85 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 125.26 1.409 . . . . 0.0 113.642 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 95.4 mtp -66.82 165.51 15.09 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.157 1.383 . . . . 0.0 113.29 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 N--CA 1.473 0.687 0 C-N-CA 125.718 1.607 . . . . 0.0 111.122 178.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 CA--C 1.538 0.695 0 N-CA-C 113.894 0.69 . . . . 0.0 113.894 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 pp -146.65 174.74 11.17 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 126.068 1.747 . . . . 0.0 111.814 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.9 p -138.49 94.22 2.82 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 123.497 1.618 . . . . 0.0 113.241 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -117.26 19.3 14.2 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.278 -1.783 . . . . 0.0 107.847 171.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . 0.31 8.6 tt0 49.04 40.97 18.42 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 130.436 3.495 . . . . 0.0 114.32 178.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 76.7 p -91.66 178.87 5.8 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 128.608 2.763 . . . . 0.0 111.851 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -44.85 -43.23 8.6 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.9 p -66.55 -32.84 74.44 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.178 0.991 . . . . 0.0 113.67 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -80.09 -26.78 39.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.232 1.413 . . . . 0.0 112.444 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.29 -33.9 77.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.188 0.595 . . . . 0.0 111.522 176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -59.51 -33.99 72.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.792 0.723 . . . . 0.0 112.721 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -66.59 -35.62 80.64 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.515 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 89.3 mt -74.7 -29.39 61.19 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.35 1.06 . . . . 0.0 112.786 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 88.2 mt -74.89 156.34 86.36 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.1 1.36 . . . . 0.0 113.126 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.01 48.47 1.72 Allowed 'Trans proline' 0 CA--C 1.55 1.3 1 C-N-CA 125.473 4.115 . . . . 0.0 114.085 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -50.52 -27.71 7.15 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.73 2.012 . . . . 0.0 116.072 -178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -95.31 2.18 54.66 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 125.493 1.517 . . . . 0.0 113.848 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -122.2 17.91 10.72 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.297 1.439 . . . . 0.0 114.01 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 22.5 m -69.44 -12.84 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.205 1.402 . . . . 0.0 114.358 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.29 -4.63 0.23 Allowed 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.65 2.38 . . . . 0.0 117.043 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.0 m -59.54 150.19 66.96 Favored Pre-proline 0 CA--C 1.545 0.766 0 C-N-CA 124.815 1.246 . . . . 0.0 111.894 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -65.76 -29.04 51.26 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 122.505 2.137 . . . . 0.0 113.547 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 91.5 mt -144.5 107.86 4.78 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 126.23 1.812 . . . . 0.0 109.902 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -57.34 -28.89 82.06 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.866 3.044 . . . . 0.0 114.955 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 35.9 t -154.6 169.89 22.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.982 2.113 . . . . 0.0 110.19 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -130.37 18.95 5.32 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.615 1.566 . . . . 0.0 113.574 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.56 -8.08 3.66 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 96.2 mmm -66.54 16.67 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.428 1.891 . . . . 0.0 115.956 -178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.71 -28.21 24.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.784 2.034 . . . . 0.0 113.226 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -125.46 6.64 7.64 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.527 1.531 . . . . 0.0 113.256 -177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.5 132.71 24.72 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.844 2.058 . . . . 0.0 109.244 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 32.3 tpp -146.42 149.03 32.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.728 1.211 . . . . 0.0 110.858 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 69.3 mt -58.83 150.61 23.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.481 1.512 . . . . 0.0 113.311 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.2 m -125.93 167.37 17.05 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 127.266 2.226 . . . . 0.0 110.554 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -54.75 -26.68 48.5 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.251 1.967 . . . . 0.0 113.457 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -57.59 -34.93 69.75 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.325 1.45 . . . . 0.0 112.89 174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -75.0 -28.68 60.62 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.573 1.149 . . . . 0.0 112.079 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.28 -45.31 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.32 1.448 . . . . 0.0 111.107 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.44 -3.54 11.69 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.87 -1.144 . . . . 0.0 113.003 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.23 -46.28 16.53 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.098 1.359 . . . . 0.0 114.42 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -27.19 63.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -174.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -14.73 33.04 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.636 1.347 . . . . 0.0 114.636 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.1 t -61.38 -26.39 67.81 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -80.84 1.17 31.81 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -57.93 126.16 76.01 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 121.106 -0.997 . . . . 0.0 111.255 176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.23 -8.46 23.49 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 124.057 3.171 . . . . 0.0 115.746 -176.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.44 -179.28 50.5 Favored Glycine 0 CA--C 1.542 1.774 0 CA-C-N 119.593 1.088 . . . . 0.0 114.268 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -74.22 -24.52 14.51 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 123.744 2.963 . . . . 0.0 114.599 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.471 0.623 0 C-N-CA 124.168 0.987 . . . . 0.0 113.018 -179.429 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo . . . . . 0 CA--C 1.537 0.653 0 N-CA-C 114.56 0.946 . . . . 0.0 114.56 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 36.4 t30 -55.07 -19.51 7.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.24 1.416 . . . . 0.0 113.569 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 67.8 mtt85 -63.65 -22.27 66.81 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.941 1.697 . . . . 0.0 113.656 176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 98.3 p -140.28 -0.41 1.62 Allowed 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 117.749 2.499 . . . . 0.0 117.749 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 1.8 pp -142.98 171.31 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 125.502 1.521 . . . . 0.0 111.107 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 32.3 t -150.17 139.03 12.78 Favored Pre-proline 0 N--CA 1.474 0.751 0 O-C-N 121.484 -0.76 . . . . 0.0 112.481 177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -65.67 -21.92 58.32 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.631 2.887 . . . . 0.0 113.69 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.2 p -63.62 -32.83 74.43 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.658 1.117 . . . . 0.0 112.519 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.8 73.93 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.078 0.951 . . . . 0.0 112.453 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.9 mp -68.14 -36.73 80.14 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.22 1.008 . . . . 0.0 110.222 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.46 -41.4 69.47 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.68 -0.637 . . . . 0.0 110.608 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.7 t70 -63.0 -32.94 74.41 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.577 1.151 . . . . 0.0 111.683 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.28 -49.89 73.88 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.632 1.173 . . . . 0.0 109.998 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 78.0 mt -60.06 -44.64 94.57 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.907 -0.495 . . . . 0.0 111.901 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -65.73 -30.85 71.57 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.417 1.008 . . . . 0.0 112.171 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 94.4 m -68.49 -43.66 76.42 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.993 0.917 . . . . 0.0 110.311 174.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -56.44 -42.9 78.89 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.56 1.073 . . . . 0.0 111.59 176.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -62.07 -18.48 60.8 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 67.3 m -71.57 158.07 88.62 Favored Pre-proline 0 N--CA 1.476 0.868 0 C-N-CA 124.019 0.928 . . . . 0.0 112.718 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.5 157.5 56.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.46 2.107 . . . . 0.0 110.73 175.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 23.3 t -59.03 122.44 13.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.375 0.67 . . . . 0.0 111.733 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 98.7 p -162.91 158.83 18.9 Favored Pre-proline 0 N--CA 1.472 0.644 0 C-N-CA 125.169 1.388 . . . . 0.0 112.174 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -63.08 -27.78 73.82 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 121.911 1.74 . . . . 0.0 111.778 175.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.01 -43.51 92.27 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.8 0.84 . . . . 0.0 110.861 175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -62.55 -47.37 84.18 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.582 0.628 . . . . 0.0 110.561 176.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -58.43 -44.76 89.28 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.322 0.649 . . . . 0.0 111.333 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -64.16 -41.65 97.06 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.433 0.693 . . . . 0.0 111.391 175.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.02 -41.1 97.71 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.377 0.989 . . . . 0.0 112.624 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 69.2 t -58.94 -47.3 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.126 0.875 . . . . 0.0 109.739 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.81 -44.24 97.14 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.259 0.624 . . . . 0.0 111.509 175.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -58.12 -50.58 73.01 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.92 0.888 . . . . 0.0 111.579 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.04 -47.47 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 125.144 1.377 . . . . 0.0 111.197 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.0 -51.08 63.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.418 0.687 . . . . 0.0 111.191 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -64.04 -21.43 66.51 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.5 m -78.95 -9.62 59.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.961 0.905 . . . . 0.0 112.366 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -137.76 60.2 23.48 Favored Pre-proline 0 CA--C 1.558 1.26 0 C-N-CA 126.579 1.952 . . . . 0.0 110.873 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -47.56 -38.5 28.3 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.078 3.186 . . . . 0.0 116.35 -176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -52.69 -48.07 66.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.534 1.534 . . . . 0.0 113.266 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.7 pp -83.69 -27.83 28.75 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.2 ppp? -79.86 -38.61 32.4 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.559 1.072 . . . . 0.0 113.057 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -69.49 -38.77 77.82 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.443 0.565 . . . . 0.0 112.045 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.42 75.14 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.478 0.711 . . . . 0.0 112.084 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 34.9 t80 -76.34 -53.19 8.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.039 1.336 . . . . 0.0 112.758 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -42.13 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.066 -1.021 . . . . 0.0 113.407 -177.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.2 mtpt -59.06 -21.1 58.61 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -99.05 -36.51 9.68 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.758 0.708 . . . . 0.0 112.008 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.44 -36.14 82.77 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 124.722 1.209 . . . . 0.0 112.346 177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 9.6 t -55.57 -30.85 61.55 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.859 1.263 . . . . 0.0 113.524 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.98 -14.57 54.98 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -117.17 7.02 12.89 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.669 1.988 . . . . 0.0 113.17 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.36 24.06 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.985 1.846 . . . . 0.0 115.985 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 7.8 p -122.0 8.31 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 128.891 2.877 . . . . 0.0 111.253 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -57.1 -22.17 37.62 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.263 2.225 . . . . 0.0 116.998 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 7.1 p30 -47.09 119.11 2.4 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.194 1.397 . . . . 0.0 113.878 -177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -157.61 175.6 3.14 Favored Pre-proline 0 CA--C 1.555 1.171 0 C-N-CA 127.817 2.447 . . . . 0.0 109.382 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.59 142.06 25.07 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 123.202 2.601 . . . . 0.0 114.156 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -74.43 53.84 2.36 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.957 1.741 . . . . 0.0 114.651 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 62.2 ttp -55.96 140.11 44.15 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.155 1.782 . . . . 0.0 113.546 -178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 127.277 2.231 . . . . 0.0 114.752 178.486 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.539 0.727 0 N-CA-C 114.122 0.778 . . . . 0.0 114.122 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pp -151.16 -179.73 7.57 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.471 1.508 . . . . 0.0 112.274 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 92.2 p -142.73 167.08 22.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.759 1.624 . . . . 0.0 111.325 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -66.55 12.92 0.06 Allowed 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.537 1.135 . . . . 0.0 113.543 173.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -125.26 11.66 8.15 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 127.225 2.21 . . . . 0.0 112.691 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -110.73 155.13 22.91 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.066 1.346 . . . . 0.0 113.593 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -52.04 -35.95 48.82 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.873 1.269 . . . . 0.0 114.415 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 73.1 m -71.77 -37.78 70.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.24 -24.99 51.12 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.565 0.62 . . . . 0.0 112.529 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -56.07 -37.64 69.57 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.82 -0.61 . . . . 0.0 110.782 174.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -63.35 -31.15 72.22 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt -76.91 -19.53 57.29 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.6 1.16 . . . . 0.0 113.721 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.0 mt -117.53 -39.51 3.15 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt 29.21 63.59 0.77 Allowed Pre-proline 0 CA--C 1.553 1.066 0 C-N-CA 127.537 2.335 . . . . 0.0 114.407 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -84.78 -20.67 3.6 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 124.724 3.616 . . . . 0.0 114.904 -176.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -44.73 -36.85 3.37 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 117.878 2.548 . . . . 0.0 117.878 -172.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -136.86 16.16 3.07 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.014 1.326 . . . . 0.0 111.176 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -71.57 -14.49 62.1 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 19.5 m -68.99 -10.11 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 128.123 2.569 . . . . 0.0 115.639 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -126.1 170.32 11.89 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.283 1.833 . . . . 0.0 114.253 -176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.9 m -166.63 80.48 1.01 Allowed Pre-proline 0 N--CA 1.479 0.999 0 C-N-CA 126.64 1.976 . . . . 0.0 110.743 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -68.69 -33.09 22.32 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.659 2.239 . . . . 0.0 113.045 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 70.6 mt -147.57 148.5 31.13 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 127.21 2.204 . . . . 0.0 109.512 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.22 -35.64 95.71 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.337 2.691 . . . . 0.0 114.439 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 18.5 m -154.48 151.89 29.48 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.115 2.166 . . . . 0.0 111.211 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -157.51 128.62 6.68 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.961 1.704 . . . . 0.0 109.142 176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.0 170.85 10.31 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 46.1 mtp -81.86 32.88 0.37 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.296 1.838 . . . . 0.0 113.765 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -58.68 -32.33 69.03 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.848 1.796 . . . . 0.0 115.848 -175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -144.06 30.77 1.28 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.622 1.169 . . . . 0.0 113.039 -177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -148.34 149.66 32.21 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.819 1.647 . . . . 0.0 111.182 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 24.7 tpp -159.36 135.79 9.13 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.869 0.867 . . . . 0.0 112.057 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.99 156.64 17.26 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.116 -178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 38.8 m -133.98 162.65 56.4 Favored Pre-proline 0 N--CA 1.471 0.609 0 C-N-CA 126.568 1.947 . . . . 0.0 110.475 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -57.14 -21.68 44.05 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.605 2.203 . . . . 0.0 113.847 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -57.22 -34.7 68.81 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.682 1.193 . . . . 0.0 112.829 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.44 -28.53 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.728 1.211 . . . . 0.0 112.368 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 27.5 mt -83.54 -38.42 14.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.543 1.537 . . . . 0.0 111.065 -177.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.35 3.86 3.39 Favored 'General case' 0 CA--C 1.549 0.909 0 O-C-N 120.771 -1.206 . . . . 0.0 113.229 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.92 -54.5 5.04 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.046 1.339 . . . . 0.0 111.987 176.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -25.65 59.11 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -177.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.72 -11.33 60.36 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 118.989 0.813 . . . . 0.0 113.035 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.33 -27.84 63.67 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 0.61 73.15 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 130.088 3.355 . . . . 0.0 116.225 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -63.71 149.44 92.72 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.351 1.461 . . . . 0.0 114.161 -177.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.4 -5.2 16.33 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 124.739 3.626 . . . . 0.0 113.957 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.18 -177.74 41.91 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 125.516 1.531 . . . . 0.0 113.167 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.47 -18.74 29.29 Favored 'Trans proline' 0 CA--C 1.542 0.886 0 C-N-CA 123.912 3.075 . . . . 0.0 114.406 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 125.481 1.513 . . . . 0.0 111.869 179.709 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo . . . . . 0 CA--C 1.538 0.694 0 N-CA-C 114.749 1.019 . . . . 0.0 114.749 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 9.9 m120 -53.45 -21.88 6.91 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.572 1.549 . . . . 0.0 114.428 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -64.7 -18.26 64.83 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 126.326 1.85 . . . . 0.0 113.95 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 54.0 m -110.14 178.51 4.37 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.731 1.612 . . . . 0.0 113.287 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 29.8 pt -136.73 165.11 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 126.28 1.832 . . . . 0.0 110.778 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 15.7 m -156.61 149.75 18.63 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 125.228 1.411 . . . . 0.0 111.017 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -66.61 -28.45 44.82 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.094 2.529 . . . . 0.0 113.703 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.8 p -58.37 -35.61 72.24 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.957 1.303 . . . . 0.0 113.139 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.05 -35.56 71.52 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.873 0.869 . . . . 0.0 113.23 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.7 mm? -70.61 -36.43 73.5 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.532 -0.73 . . . . 0.0 110.54 177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -68.76 -36.25 78.1 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.797 -0.565 . . . . 0.0 110.977 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -64.99 -38.68 91.75 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.504 -0.748 . . . . 0.0 111.029 174.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.74 -47.51 85.97 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.331 -0.856 . . . . 0.0 109.578 175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.69 -48.96 79.33 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.151 0.58 . . . . 0.0 112.171 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 27.4 ptt85 -64.55 -29.79 70.82 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.055 0.843 . . . . 0.0 112.985 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 33.4 m -77.78 -38.25 47.08 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.955 0.902 . . . . 0.0 111.243 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 38.1 tp -63.18 -33.64 75.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.561 1.144 . . . . 0.0 111.692 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.64 -29.42 70.62 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 177.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 70.6 m -70.27 154.22 94.66 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 124.587 1.155 . . . . 0.0 111.863 177.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.43 150.66 84.21 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.757 2.304 . . . . 0.0 112.515 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 45.1 m -62.51 127.4 31.13 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.91 1.284 . . . . 0.0 113.369 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 89.3 p -160.74 156.68 22.26 Favored Pre-proline 0 N--CA 1.472 0.672 0 C-N-CA 126.469 1.908 . . . . 0.0 109.638 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -53.5 -34.66 73.22 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.466 2.11 . . . . 0.0 111.963 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -69.07 -48.55 62.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.276 1.431 . . . . 0.0 111.755 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -62.96 -41.59 99.57 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.871 0.868 . . . . 0.0 110.893 177.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.22 -50.7 72.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.866 1.266 . . . . 0.0 109.762 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -59.0 -36.27 74.65 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.848 0.859 . . . . 0.0 112.22 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -62.91 -41.41 99.43 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.025 1.284 . . . . 0.0 112.202 176.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 85.3 t -62.5 -42.49 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.732 1.151 . . . . 0.0 109.898 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.4 mt -60.77 -40.81 93.9 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.649 -0.657 . . . . 0.0 111.323 175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -63.07 -44.29 96.22 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.21 0.914 . . . . 0.0 110.887 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 50.4 mt -61.99 -39.53 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.916 1.287 . . . . 0.0 110.522 177.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 72.5 mt -70.09 -44.88 68.13 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.411 -0.806 . . . . 0.0 111.084 175.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -62.38 -22.38 66.08 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.377 1.471 . . . . 0.0 113.756 177.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 68.1 m -69.21 -17.18 63.76 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.135 0.974 . . . . 0.0 112.294 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.16 67.88 4.15 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 127.524 2.33 . . . . 0.0 109.807 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -58.44 -22.57 59.54 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.839 3.026 . . . . 0.0 116.043 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -43.9 -47.2 8.32 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.531 1.932 . . . . 0.0 114.031 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.5 pp -80.25 -38.73 30.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.356 1.062 . . . . 0.0 113.552 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 41.1 ttp -65.34 -42.81 92.51 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.551 0.741 . . . . 0.0 112.013 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.426 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -57.24 -28.92 63.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.836 1.254 . . . . 0.0 114.113 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.45 81.4 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.483 -0.761 . . . . 0.0 112.78 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 10.9 t80 -76.54 -52.67 9.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.009 1.323 . . . . 0.0 112.803 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . 0.498 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -57.47 -38.54 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -53.59 -27.22 25.41 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -97.32 -38.35 9.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.593 0.757 . . . . 0.0 111.472 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -59.44 -37.13 77.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.938 1.295 . . . . 0.0 112.939 177.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.2 t -54.49 -31.45 55.94 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.702 1.201 . . . . 0.0 113.585 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.89 49.8 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -128.36 -6.6 5.32 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.118 1.367 . . . . 0.0 114.034 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 2.2 t80 -81.99 45.14 0.89 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.568 1.947 . . . . 0.0 113.188 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 3.6 p -77.49 109.55 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.684 1.594 . . . . 0.0 109.901 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -92.12 4.88 52.21 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 -174.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -113.84 13.72 18.47 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -66.32 154.02 91.33 Favored Pre-proline 0 CA--C 1.553 1.072 0 O-C-N 121.077 -1.014 . . . . 0.0 111.11 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.49 -8.5 23.76 Favored 'Trans proline' 0 CA--C 1.544 0.975 0 C-N-CA 123.63 2.886 . . . . 0.0 115.823 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 103.55 10.1 36.53 Favored Glycine 0 CA--C 1.536 1.372 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 14.3 tpt -143.42 148.82 36.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.418 1.487 . . . . 0.0 110.35 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 . . . . . 0 N--CA 1.474 0.734 0 C-N-CA 125.825 1.65 . . . . 0.0 111.329 -178.593 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.538 0.687 0 N-CA-C 113.72 0.623 . . . . 0.0 113.72 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 pp -145.77 159.35 43.31 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.099 1.76 . . . . 0.0 110.897 178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 52.1 p -79.6 166.24 22.1 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.725 0.774 . . . . 0.0 112.419 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -94.74 3.32 55.18 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.561 0.744 . . . . 0.0 111.533 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -85.26 -40.81 16.19 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.648 1.179 . . . . 0.0 113.867 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 59.4 p 0.35 -93.6 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 129.295 3.038 . . . . 0.0 116.618 -176.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -57.81 -39.78 78.41 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.847 2.459 . . . . 0.0 114.202 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' B' ' 23' ' ' TRP . 68.5 m -65.56 -30.92 71.72 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.296 1.039 . . . . 0.0 111.908 176.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -72.31 -27.13 62.25 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.08 1.352 . . . . 0.0 112.774 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.44 -37.1 82.49 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.854 -0.529 . . . . 0.0 111.118 177.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . 0.475 ' CD1' ' HA ' ' B' ' 20' ' ' SER . 11.0 m95 -60.26 -31.68 70.45 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.481 0.582 . . . . 0.0 112.241 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -71.93 -44.12 64.15 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.196 1.399 . . . . 0.0 111.675 179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.5 mt -77.16 -37.28 54.15 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.558 1.543 . . . . 0.0 114.477 -177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 mt -52.66 -55.53 31.75 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 118.47 2.767 . . . . 0.0 118.47 -175.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -71.21 4.76 2.62 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.718 3.612 . . . . 0.0 114.038 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -128.49 5.61 5.68 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.424 1.09 . . . . 0.0 113.871 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -126.9 -2.36 6.55 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.176 1.79 . . . . 0.0 111.505 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -145.78 145.42 30.8 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.163 1.385 . . . . 0.0 112.167 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.86 -15.31 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 126.149 1.78 . . . . 0.0 114.005 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 56.5 mt -85.4 166.01 16.74 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.864 2.066 . . . . 0.0 114.456 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.1 p -150.28 153.1 34.51 Favored Pre-proline 0 CA--C 1.546 0.805 0 C-N-CA 128.158 2.583 . . . . 0.0 109.234 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.02 -31.36 9.86 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 122.283 1.989 . . . . 0.0 113.81 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 64.5 mt -146.07 154.11 50.06 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 126.99 2.116 . . . . 0.0 109.918 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -67.03 -18.05 51.52 Favored 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.819 3.013 . . . . 0.0 116.253 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.4 p -124.07 7.72 8.59 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 34.2 tp60 -59.06 117.41 4.66 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.888 1.275 . . . . 0.0 110.999 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.1 176.74 11.23 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.835 1.254 . . . . 0.0 112.646 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 43.1 mtp -76.99 38.31 0.2 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.797 1.639 . . . . 0.0 114.507 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -65.57 -33.98 77.18 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -146.73 29.28 1.02 Allowed 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 124.636 1.174 . . . . 0.0 113.172 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 pp -148.45 151.93 36.07 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.318 1.447 . . . . 0.0 111.822 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 27.0 tpp -154.16 148.92 26.52 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.978 0.911 . . . . 0.0 112.983 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.18 159.56 11.83 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.55 1.54 . . . . 0.0 114.916 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.3 m -122.28 165.72 19.85 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.099 2.56 . . . . 0.0 111.47 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.45 -24.43 61.04 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.44 2.094 . . . . 0.0 114.035 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -58.83 -35.82 73.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.884 1.273 . . . . 0.0 112.075 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -70.93 -33.27 70.34 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.938 . . . . 0.0 111.588 177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mt -75.36 -43.77 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 124.847 1.259 . . . . 0.0 111.024 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -72.48 -7.0 47.63 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.864 -1.148 . . . . 0.0 113.268 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -49.3 9.77 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.786 1.234 . . . . 0.0 113.333 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.19 -24.01 62.15 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -174.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.91 -9.72 50.52 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -12.99 61.84 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -51.73 140.44 19.03 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.901 1.28 . . . . 0.0 113.124 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -133.6 88.51 33.72 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.817 1.247 . . . . 0.0 111.838 -178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -77.03 -4.91 15.4 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.554 2.836 . . . . 0.0 114.1 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.31 65.26 2.57 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.496 1.046 . . . . 0.0 113.771 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -68.81 -14.29 38.67 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.571 2.847 . . . . 0.0 114.64 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.778 1.631 . . . . 0.0 111.535 179.071 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo . . . . . 0 CA--C 1.543 0.93 0 N-CA-C 113.31 0.466 . . . . 0.0 113.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 36.5 p30 -135.23 6.29 3.31 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.027 1.731 . . . . 0.0 114.488 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -84.35 168.61 15.44 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.402 1.481 . . . . 0.0 111.365 176.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 67.3 m -129.13 79.11 1.89 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.387 1.475 . . . . 0.0 111.413 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 17.7 pt -142.05 133.99 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.868 1.667 . . . . 0.0 110.027 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 57.8 m -84.55 134.79 41.75 Favored Pre-proline 0 N--CA 1.473 0.722 0 C-N-CA 123.311 0.644 . . . . 0.0 112.212 -177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -68.29 -25.83 36.08 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.754 2.303 . . . . 0.0 112.646 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 28.5 p -56.36 -34.05 66.27 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.453 1.101 . . . . 0.0 112.898 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.5 70.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.629 1.172 . . . . 0.0 112.94 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.3 mp -66.5 -49.39 66.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.141 0.977 . . . . 0.0 109.847 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -64.45 -41.93 96.25 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.651 0.38 . . . . 0.0 111.394 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.73 -38.64 91.69 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.772 0.829 . . . . 0.0 112.204 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.57 -50.71 68.4 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.108 -0.995 . . . . 0.0 110.003 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.93 -45.26 94.46 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -60.53 -32.02 71.08 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.432 1.015 . . . . 0.0 111.824 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.0 m -75.52 -43.56 48.3 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.347 1.059 . . . . 0.0 111.196 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -58.14 -37.77 75.29 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.713 1.205 . . . . 0.0 112.337 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.92 -16.98 64.35 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.8 m -68.37 162.49 61.09 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.772 1.229 . . . . 0.0 112.305 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.91 153.0 73.43 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 122.09 1.86 . . . . 0.0 111.182 175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 35.0 m -58.65 120.37 8.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.921 1.288 . . . . 0.0 113.156 -179.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 59.9 p -160.23 159.18 26.61 Favored Pre-proline 0 N--CA 1.474 0.742 0 C-N-CA 124.118 0.967 . . . . 0.0 113.15 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -57.71 -33.83 97.31 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.589 2.193 . . . . 0.0 111.617 173.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -63.83 -43.99 94.56 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.986 1.314 . . . . 0.0 111.343 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -62.29 -49.29 76.22 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.653 0.781 . . . . 0.0 110.574 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -58.01 -47.88 81.71 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.218 0.607 . . . . 0.0 110.481 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.09 -40.53 89.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.926 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -63.53 -44.21 94.89 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.929 1.24 . . . . 0.0 112.6 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 59.2 t -63.43 -40.86 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 119.748 1.158 . . . . 0.0 110.205 176.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.08 -39.81 91.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.624 0.647 . . . . 0.0 111.224 174.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -62.1 -47.0 86.57 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.545 1.066 . . . . 0.0 110.918 176.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.24 -44.5 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.134 1.374 . . . . 0.0 110.726 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.24 -42.69 79.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.115 0.966 . . . . 0.0 112.21 177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -63.67 -23.11 67.24 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.231 1.012 . . . . 0.0 112.296 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 47.4 m -80.96 -8.35 59.74 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.516 1.126 . . . . 0.0 112.282 174.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -138.13 58.95 16.57 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.255 2.222 . . . . 0.0 110.53 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.21 -32.68 41.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.54 2.827 . . . . 0.0 115.923 -175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -50.9 -50.22 57.78 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.772 1.629 . . . . 0.0 112.76 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.77 -28.7 27.98 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 4.8 ttp -72.02 -52.18 18.19 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.19 0.596 . . . . 0.0 112.032 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.48 -37.83 85.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.408 1.083 . . . . 0.0 112.325 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.7 95.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 122.901 0.48 . . . . 0.0 111.555 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 64.1 t80 -70.3 -52.68 21.01 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.575 0.75 . . . . 0.0 112.701 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -43.22 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 118.812 0.733 . . . . 0.0 112.776 -176.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 10.8 mtpm? -60.76 -19.42 59.18 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -98.54 -42.48 7.28 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.122 174.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -62.79 -36.93 84.75 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.388 1.475 . . . . 0.0 112.984 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -56.27 -29.68 61.46 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.14 0.976 . . . . 0.0 113.064 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.24 -13.46 28.34 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.58 1.152 . . . . 0.0 113.986 175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 44.8 tptt -117.39 1.05 12.33 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.759 2.024 . . . . 0.0 112.644 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -103.23 32.25 3.87 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.701 2.4 . . . . 0.0 110.973 177.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 8.0 p -114.23 123.18 69.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 126.713 2.005 . . . . 0.0 110.158 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -141.16 169.56 17.39 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.953 1.701 . . . . 0.0 111.889 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -63.15 157.8 21.45 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.163 0.985 . . . . 0.0 112.603 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.02 144.23 82.79 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 124.274 1.03 . . . . 0.0 113.774 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -70.76 -18.88 32.01 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 123.541 2.827 . . . . 0.0 114.002 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -84.16 1.13 89.12 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.807 1.194 . . . . 0.0 114.597 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 41.9 ttp -56.52 138.28 52.06 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.891 1.676 . . . . 0.0 112.438 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 124.82 1.248 . . . . 0.0 112.609 179.598 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 CA--C 1.54 0.794 0 N-CA-C 114.25 0.827 . . . . 0.0 114.25 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 pp -136.79 164.72 27.61 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.096 1.758 . . . . 0.0 113.47 -178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.8 m -56.17 142.14 38.15 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -80.8 17.07 1.23 Allowed 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.302 1.841 . . . . 0.0 114.517 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -122.67 10.02 9.62 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.937 1.695 . . . . 0.0 112.388 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 73.9 p -82.86 -169.61 2.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.13 1.772 . . . . 0.0 111.218 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -35.64 -43.03 0.26 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.239 2.215 . . . . 0.0 116.639 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 61.9 p -60.28 -34.49 73.82 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -90.62 -26.98 19.37 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.003 1.321 . . . . 0.0 111.411 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 76.3 mt -60.4 -35.96 76.98 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.151 -0.928 . . . . 0.0 110.512 174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -57.55 -36.23 71.38 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.447 1.022 . . . . 0.0 112.833 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -78.28 -31.88 49.22 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.178 1.391 . . . . 0.0 113.14 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.4 mt -92.24 -52.7 4.56 Favored 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.7 mt 27.24 65.36 0.58 Allowed Pre-proline 0 CA--C 1.559 1.317 0 C-N-CA 126.499 1.919 . . . . 0.0 113.277 -174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.45 -26.61 14.04 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 124.589 3.526 . . . . 0.0 117.357 -170.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 12.9 pm0 -57.79 -35.54 70.96 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -173.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -143.61 40.16 1.42 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.291 1.837 . . . . 0.0 109.217 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -40.4 -24.1 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 120.411 3.485 . . . . 0.0 120.411 -174.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 m -134.59 4.46 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -137.22 174.57 10.46 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.88 1.672 . . . . 0.0 114.778 -175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 71.2 m -157.73 154.28 24.57 Favored Pre-proline 0 N--CA 1.475 0.778 0 C-N-CA 126.372 1.869 . . . . 0.0 109.67 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -71.94 -18.95 27.45 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.753 2.302 . . . . 0.0 112.921 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.6 mt -140.15 141.0 25.02 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 126.929 2.091 . . . . 0.0 109.33 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -80.95 -6.31 13.16 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 123.657 2.905 . . . . 0.0 114.768 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.3 t -142.41 -169.34 2.94 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.694 1.198 . . . . 0.0 113.001 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -49.9 142.88 8.42 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.239 2.215 . . . . 0.0 113.44 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -145.73 -6.33 0.61 Allowed 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 125.443 1.497 . . . . 0.0 114.795 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 43.7 mtp -79.51 25.24 0.33 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.506 1.522 . . . . 0.0 114.803 -178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.24 -38.36 79.85 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.468 1.284 . . . . 0.0 114.468 -177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -146.32 23.68 1.3 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.607 1.163 . . . . 0.0 113.308 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -138.56 142.63 39.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.07 1.748 . . . . 0.0 109.636 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 31.9 tpp -151.14 159.88 44.2 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.744 0.817 . . . . 0.0 113.087 -174.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -64.54 149.38 48.83 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.834 0.854 . . . . 0.0 111.728 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 37.9 m -130.93 166.63 26.14 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 127.269 2.228 . . . . 0.0 111.046 -178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -54.86 -28.24 57.33 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 122.621 2.214 . . . . 0.0 113.95 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -59.45 -34.42 72.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.306 1.042 . . . . 0.0 112.843 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -77.28 -30.57 54.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.331 1.052 . . . . 0.0 111.884 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 35.6 mt -82.64 -35.57 12.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 125.55 1.54 . . . . 0.0 111.471 -177.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.67 -3.34 30.8 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.204 -1.56 . . . . 0.0 113.302 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.81 -46.67 12.78 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.049 1.34 . . . . 0.0 114.303 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.57 -19.65 55.31 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -173.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.6 -12.7 36.2 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 3.1 t -53.65 -27.45 27.48 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -174.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -70.33 -11.71 61.09 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -63.75 117.41 34.93 Favored Pre-proline 0 CA--C 1.553 1.089 0 C-N-CA 125.196 1.398 . . . . 0.0 112.248 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.84 -16.28 29.57 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 123.403 2.735 . . . . 0.0 113.254 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.08 155.62 9.57 Favored Glycine 0 CA--C 1.542 1.76 0 C-N-CA 126.826 2.155 . . . . 0.0 113.212 178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -76.24 -8.69 18.77 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.085 3.19 . . . . 0.0 113.99 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 126.132 1.773 . . . . 0.0 111.837 -179.024 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo . . . . . 0 CA--C 1.544 0.977 0 N-CA-C 113.411 0.504 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -142.06 37.99 1.59 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.227 1.811 . . . . 0.0 110.684 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -123.38 21.88 9.4 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.342 1.857 . . . . 0.0 113.432 -175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 63.0 p -120.78 163.11 18.64 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.278 1.831 . . . . 0.0 112.083 -178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 21.0 pt -57.56 138.27 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 C-N-CA 124.277 1.031 . . . . 0.0 112.529 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 37.7 t -162.47 145.29 8.64 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 123.963 0.905 . . . . 0.0 112.217 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -62.07 -19.73 67.31 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.026 2.484 . . . . 0.0 113.208 175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 78.8 p -64.77 -32.36 74.02 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.152 -0.968 . . . . 0.0 111.808 175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.67 -33.71 73.24 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.251 1.02 . . . . 0.0 112.538 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.28 -32.41 71.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.188 0.995 . . . . 0.0 109.79 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -73.06 -36.67 66.92 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.783 -0.573 . . . . 0.0 110.669 174.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -64.29 -34.33 77.89 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.391 -0.818 . . . . 0.0 111.196 174.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.53 -45.03 95.38 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.375 -0.828 . . . . 0.0 109.559 175.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.66 -48.41 81.92 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 118.791 -0.624 . . . . 0.0 111.856 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -62.94 -31.48 72.59 Favored 'General case' 0 N--CA 1.484 1.23 0 CA-C-N 119.951 1.25 . . . . 0.0 112.353 176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 97.9 m -69.63 -40.96 76.23 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.513 1.125 . . . . 0.0 111.102 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 31.1 tp -63.11 -38.74 92.37 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 121.231 -0.918 . . . . 0.0 110.352 174.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -74.57 45.39 0.24 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.507 1.923 . . . . 0.0 114.233 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 16.1 p -146.08 161.41 39.59 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 125.297 1.439 . . . . 0.0 111.606 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.85 157.44 39.19 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.817 2.345 . . . . 0.0 113.093 -178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 22.0 m -54.49 107.93 0.33 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.934 1.694 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -159.83 160.05 27.38 Favored Pre-proline 0 N--CA 1.472 0.668 0 C-N-CA 123.946 0.899 . . . . 0.0 112.804 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -59.72 -29.59 90.07 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.398 2.066 . . . . 0.0 111.889 174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.023 0.929 . . . . 0.0 111.369 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -62.0 -44.96 95.63 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.25 0.62 . . . . 0.0 110.219 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.87 -40.93 97.71 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.829 0.852 . . . . 0.0 111.645 177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -62.72 -40.02 95.87 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.678 -0.638 . . . . 0.0 110.694 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -61.16 -45.85 92.96 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.737 0.699 . . . . 0.0 110.671 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 95.1 t -58.18 -48.81 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 118.744 0.702 . . . . 0.0 110.244 176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 38.8 mt -57.25 -46.17 83.29 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.089 0.956 . . . . 0.0 111.465 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -60.04 -48.95 79.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.799 0.84 . . . . 0.0 111.835 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 66.3 mt -62.89 -53.7 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 124.37 1.068 . . . . 0.0 110.073 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 49.2 mt -62.77 -42.96 99.93 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -64.89 -26.64 68.41 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 120.255 1.389 . . . . 0.0 112.73 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 45.8 m -84.31 -6.46 59.39 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.409 1.084 . . . . 0.0 112.464 174.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -133.07 63.53 67.01 Favored Pre-proline 0 CA--C 1.551 1.014 0 C-N-CA 126.861 2.064 . . . . 0.0 110.131 -178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -57.76 -39.33 88.18 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 124.127 3.218 . . . . 0.0 114.525 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -41.62 76.0 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.1 pp -84.01 -35.68 23.69 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 118.728 0.695 . . . . 0.0 112.758 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.7 ttt -66.3 -52.37 48.0 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.197 0.599 . . . . 0.0 112.233 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.449 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -65.62 -34.6 78.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.276 0.63 . . . . 0.0 111.547 -178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.13 -44.05 96.66 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.605 -0.684 . . . . 0.0 110.743 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.74 -53.21 23.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.09 0.956 . . . . 0.0 113.093 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . 0.449 HG22 ' HA ' ' A' 2099 ' ' ALA . 0.1 OUTLIER -61.55 -42.87 95.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.719 1.145 . . . . 0.0 112.668 -177.549 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.92 -16.37 50.37 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.789 0.722 . . . . 0.0 112.935 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -99.14 -45.68 5.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.236 1.414 . . . . 0.0 111.702 172.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -33.4 75.26 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.923 1.289 . . . . 0.0 112.711 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.2 t -51.46 -32.7 28.02 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.926 1.291 . . . . 0.0 112.858 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.93 -17.95 64.03 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.135 1.374 . . . . 0.0 114.344 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -136.94 12.66 3.12 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 127.02 2.128 . . . . 0.0 114.174 -175.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 12.6 t80 -55.28 118.19 4.18 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' 2112 ' ' ASN . 45.3 t -144.43 138.41 23.49 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 127.909 2.483 . . . . 0.0 107.605 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -61.21 -8.89 4.04 Favored 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . 0.412 ' H ' HG12 ' A' 2110 ' ' VAL . 68.2 m-80 -153.07 164.15 38.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 126.888 2.075 . . . . 0.0 110.338 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -154.56 151.94 24.87 Favored Pre-proline 0 CA--C 1.55 0.964 0 C-N-CA 124.991 1.316 . . . . 0.0 111.743 176.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -54.26 156.79 12.66 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 124.202 3.268 . . . . 0.0 115.217 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -165.8 53.18 0.26 Allowed Glycine 0 CA--C 1.535 1.312 0 C-N-CA 124.278 0.942 . . . . 0.0 114.134 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 24.1 ptt? -135.14 22.16 3.48 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.119 1.367 . . . . 0.0 113.965 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.541 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 112.515 179.546 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 CA--C 1.54 0.817 0 N-CA-C 113.48 0.531 . . . . 0.0 113.48 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 147.03 47.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.191 1.396 . . . . 0.0 113.053 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 17.8 m -68.76 164.78 21.02 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.622 1.169 . . . . 0.0 112.252 176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -110.11 9.31 24.07 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.553 1.141 . . . . 0.0 112.796 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.08 15.47 7.32 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.035 1.734 . . . . 0.0 112.642 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 63.2 p -65.4 172.23 3.38 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.09 1.356 . . . . 0.0 112.699 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -48.48 -34.27 10.85 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.236 1.014 . . . . 0.0 113.684 177.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -62.58 -31.44 72.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.85 1.26 . . . . 0.0 113.893 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.72 -23.63 29.24 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.719 -0.613 . . . . 0.0 111.856 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.36 -34.61 75.59 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.479 -0.763 . . . . 0.0 110.825 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -58.75 -34.2 71.13 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.156 0.582 . . . . 0.0 112.265 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -77.73 -34.21 52.69 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.999 1.32 . . . . 0.0 112.217 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -73.31 -32.91 64.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.439 1.096 . . . . 0.0 112.429 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.06 165.19 23.12 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 125.336 1.454 . . . . 0.0 112.792 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -57.28 33.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.178 1 C-N-CA 127.899 5.733 . . . . 0.0 119.124 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -50.62 -25.39 4.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.568 1.947 . . . . 0.0 114.807 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -72.6 -7.98 52.96 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.309 1.443 . . . . 0.0 113.605 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -129.47 17.04 5.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.159 1.784 . . . . 0.0 114.766 -174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 23.4 m -56.25 -23.88 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -58.47 121.01 9.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.13 1.372 . . . . 0.0 112.347 -177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 5.6 m -160.76 156.29 21.58 Favored Pre-proline 0 N--CA 1.474 0.76 0 C-N-CA 127.03 2.132 . . . . 0.0 110.788 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.37 -19.48 49.53 Favored 'Trans proline' 0 CA--C 1.545 1.075 0 C-N-CA 123.256 2.638 . . . . 0.0 113.13 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 7.2 mp -116.31 74.79 5.96 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 127.855 2.462 . . . . 0.0 108.863 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.69 -18.7 32.47 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.338 2.692 . . . . 0.0 114.878 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -139.53 -0.02 1.81 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -97.57 6.38 48.16 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.036 1.334 . . . . 0.0 114.384 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.1 -12.06 46.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.838 1.655 . . . . 0.0 115.428 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 30.0 mtt -117.7 13.89 14.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.181 1.393 . . . . 0.0 113.817 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -58.37 -29.77 66.25 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -130.11 12.26 5.59 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.334 1.454 . . . . 0.0 112.989 -178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.85 113.46 5.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.454 1.502 . . . . 0.0 111.701 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 17.7 tpp -142.03 132.98 25.91 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.88 1.272 . . . . 0.0 110.945 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.417 HD22 ' H ' ' B' ' 45' ' ' LEU . 2.8 mm? -60.56 175.34 0.47 Allowed 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.354 3.062 . . . . 0.0 114.51 -176.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -126.67 164.89 31.77 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 127.618 2.367 . . . . 0.0 109.499 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -56.2 -28.63 71.93 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.356 2.037 . . . . 0.0 113.724 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -27.02 65.47 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.109 1.364 . . . . 0.0 113.419 175.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -91.49 -28.77 17.39 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.291 1.436 . . . . 0.0 111.792 176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 50.4 mt -81.78 -32.22 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 124.984 1.314 . . . . 0.0 111.297 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.91 2.62 4.09 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.64 -1.287 . . . . 0.0 112.998 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -78.47 -60.18 2.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.472 1.509 . . . . 0.0 113.104 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -20.79 61.59 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 -172.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.15 -9.96 59.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 4.4 t -56.3 -28.76 59.87 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.63 -6.9 59.44 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.595 1.158 . . . . 0.0 113.996 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.15 136.02 82.13 Favored Pre-proline 0 CA--C 1.554 1.098 0 C-N-CA 124.835 1.254 . . . . 0.0 110.825 177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.76 -7.14 20.68 Favored 'Trans proline' 0 CA--C 1.546 1.091 0 C-N-CA 124.395 3.397 . . . . 0.0 115.397 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.63 67.53 0.47 Allowed Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.641 1.591 . . . . 0.0 113.014 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -71.05 -11.23 28.84 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.802 3.001 . . . . 0.0 113.827 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 18.4 t0 . . . . . 0 C--O 1.24 0.588 0 C-N-CA 125.849 1.66 . . . . 0.0 113.366 178.532 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 CA--C 1.541 0.874 0 N-CA-C 113.502 0.539 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -74.02 -12.12 60.53 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.893 1.277 . . . . 0.0 113.773 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.72 159.13 30.75 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.759 1.623 . . . . 0.0 112.928 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 3.6 p -87.86 72.76 9.31 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.163 1.785 . . . . 0.0 113.84 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 19.0 pt -148.15 161.14 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.351 1.86 . . . . 0.0 111.142 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 61.4 m -145.23 136.57 12.65 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.687 1.195 . . . . 0.0 111.197 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.38 -24.46 31.38 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.008 2.472 . . . . 0.0 112.415 178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 27.0 p -55.85 -31.5 62.8 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.065 0.946 . . . . 0.0 112.72 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.08 71.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.368 1.067 . . . . 0.0 112.194 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.1 mp -71.67 -41.75 68.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.928 1.291 . . . . 0.0 110.487 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -67.05 -42.14 85.29 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.547 -0.721 . . . . 0.0 111.103 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -66.34 -29.45 69.64 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.671 -0.643 . . . . 0.0 112.353 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.35 -50.1 69.05 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.287 -0.883 . . . . 0.0 109.207 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 39.8 mt -59.61 -46.65 88.35 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 118.785 -0.626 . . . . 0.0 112.618 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -61.63 -29.71 70.24 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.599 1.09 . . . . 0.0 112.145 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 85.9 m -73.8 -41.71 61.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.481 1.112 . . . . 0.0 110.343 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.39 -33.99 74.6 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.588 1.555 . . . . 0.0 111.943 176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -57.48 -27.29 62.38 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.9 m -66.04 160.18 65.34 Favored Pre-proline 0 CA--C 1.546 0.818 0 C-N-CA 124.901 1.28 . . . . 0.0 112.503 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.62 150.88 83.71 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.102 1.868 . . . . 0.0 111.392 176.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.6 m -55.54 122.61 11.68 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.715 1.606 . . . . 0.0 113.644 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 94.8 p -163.23 159.26 18.3 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -59.79 -28.13 86.54 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 122.901 2.401 . . . . 0.0 112.209 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -65.6 -44.08 87.7 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.017 0.927 . . . . 0.0 110.701 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -62.13 -46.41 89.14 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.171 0.989 . . . . 0.0 110.774 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -55.59 -50.41 70.19 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.974 1.31 . . . . 0.0 110.696 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -63.13 -40.67 98.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 118.816 -0.611 . . . . 0.0 112.114 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -63.44 -41.67 98.67 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.801 1.182 . . . . 0.0 112.7 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 71.7 t -64.72 -39.79 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.754 1.161 . . . . 0.0 110.617 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 63.3 mt -60.65 -43.53 97.51 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.837 0.744 . . . . 0.0 110.38 173.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.61 -46.62 89.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.686 0.794 . . . . 0.0 111.236 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.6 mt -60.43 -45.94 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.158 1.383 . . . . 0.0 110.94 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.55 -43.91 75.64 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.857 0.863 . . . . 0.0 113.085 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -65.36 -13.88 59.57 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 61.8 m -81.36 -9.77 59.68 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.794 1.238 . . . . 0.0 112.553 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.3 p30 -148.41 61.75 5.98 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 127.832 2.453 . . . . 0.0 109.548 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -62.69 -15.91 49.56 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 123.631 2.888 . . . . 0.0 115.645 -174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -52.63 -47.65 66.89 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.256 1.422 . . . . 0.0 111.753 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.3 pp -83.82 -28.01 28.36 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 15.5 tmm? -70.24 -47.12 62.76 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.764 0.826 . . . . 0.0 111.92 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.19 -35.04 76.1 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.343 0.657 . . . . 0.0 112.062 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.07 -39.47 82.94 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.691 -0.631 . . . . 0.0 110.735 173.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . 0.433 ' HA ' HD22 ' B' ' 26' ' ' LEU . 25.8 t80 -62.13 -52.52 63.53 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 123.962 0.905 . . . . 0.0 111.534 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -38.4 79.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-N 119.415 1.007 . . . . 0.0 111.949 178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -56.87 -28.83 62.29 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.197 0.908 . . . . 0.0 112.884 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -92.99 -42.67 9.32 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.383 0.673 . . . . 0.0 111.633 175.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -32.72 73.3 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.158 1.383 . . . . 0.0 113.47 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.6 t -59.5 -31.27 69.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.594 1.157 . . . . 0.0 112.808 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.18 -13.69 40.25 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 124.5 1.12 . . . . 0.0 113.837 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 21.4 tptp -124.85 5.46 8.06 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.558 1.943 . . . . 0.0 112.61 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.83 47.44 1.49 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.756 1.622 . . . . 0.0 113.46 -178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 14.1 p -126.65 122.2 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 C-N-CA 127.22 2.208 . . . . 0.0 109.315 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -98.64 2.47 47.29 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -174.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -131.52 76.34 1.71 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.893 1.277 . . . . 0.0 111.609 -178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -141.94 153.54 64.19 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 126.681 1.993 . . . . 0.0 110.201 178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.42 162.86 40.23 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.261 2.641 . . . . 0.0 113.205 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -157.9 32.64 0.52 Allowed Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.601 1.096 . . . . 0.0 114.407 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 63.8 mtt -140.6 153.98 46.28 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.912 1.685 . . . . 0.0 111.19 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.855 1.262 . . . . 0.0 111.681 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 CA--C 1.537 0.655 0 N-CA-C 114.196 0.806 . . . . 0.0 114.196 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -151.97 169.34 22.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.392 1.477 . . . . 0.0 112.046 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -154.81 174.12 15.51 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.23 1.412 . . . . 0.0 111.19 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.82 7.39 0.37 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.858 2.463 . . . . 0.0 113.815 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -127.91 14.79 6.88 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.913 2.085 . . . . 0.0 112.456 -176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.3 p -98.72 -156.19 0.53 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.037 1.735 . . . . 0.0 110.993 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -46.93 -30.6 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.958 1.303 . . . . 0.0 113.488 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.0 p -56.28 -37.24 69.57 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.942 1.697 . . . . 0.0 113.128 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -83.0 -29.76 28.68 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.816 1.247 . . . . 0.0 111.918 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.01 -35.61 77.32 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.236 176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -60.95 -30.68 70.38 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.593 1.088 . . . . 0.0 112.436 175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -75.27 -23.2 57.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.984 1.314 . . . . 0.0 113.344 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.67 -9.84 58.59 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.677 1.191 . . . . 0.0 113.499 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' 2101 ' ' PHE . 83.5 mt -68.27 156.56 89.85 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.32 1.448 . . . . 0.0 114.054 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -75.46 40.16 0.67 Allowed 'Trans proline' 0 CA--C 1.55 1.313 1 C-N-CA 125.454 4.102 . . . . 0.0 112.101 175.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -56.53 -14.96 3.52 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.716 2.006 . . . . 0.0 115.921 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -111.08 10.76 22.01 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.538 1.535 . . . . 0.0 112.616 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -123.44 95.08 4.45 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.157 1.383 . . . . 0.0 111.453 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -76.2 -21.67 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.89 169.54 2.52 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 18.3 p -143.15 123.24 7.84 Favored Pre-proline 0 CA--C 1.544 0.719 0 C-N-CA 125.649 1.58 . . . . 0.0 111.569 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.56 1.76 8.75 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 123.967 3.112 . . . . 0.0 114.592 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 80.5 mt -129.86 155.43 80.53 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 126.176 1.791 . . . . 0.0 111.529 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.84 -29.02 61.07 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 124.019 3.146 . . . . 0.0 114.916 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 23.0 t -151.64 148.18 27.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.71 1.604 . . . . 0.0 110.994 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -144.74 123.25 12.42 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.174 1.79 . . . . 0.0 109.239 177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -155.01 -175.43 5.43 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.698 1.599 . . . . 0.0 110.971 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 20.1 ptm -134.97 18.62 3.47 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.614 1.338 . . . . 0.0 114.614 -178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.04 -23.56 47.45 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.753 2.021 . . . . 0.0 116.318 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -122.48 18.75 10.5 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.538 1.535 . . . . 0.0 112.631 -178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.78 50.88 0.99 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.228 1.811 . . . . 0.0 111.612 -177.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 138.74 55.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.882 0.873 . . . . 0.0 111.797 178.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.0 155.17 20.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.676 1.191 . . . . 0.0 112.999 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.3 m -135.76 167.31 22.74 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 127.211 2.204 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -55.09 -26.61 51.26 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.621 2.214 . . . . 0.0 113.919 178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.67 -33.41 71.53 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.469 1.107 . . . . 0.0 112.81 174.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -77.7 -35.86 51.73 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.291 1.036 . . . . 0.0 111.343 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 43.7 mt -73.23 -36.99 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.243 1.417 . . . . 0.0 111.166 -178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -75.86 -5.25 45.13 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.536 -1.353 . . . . 0.0 113.3 176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.93 -47.28 11.96 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.36 -22.97 60.16 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 116.315 1.969 . . . . 0.0 116.315 -173.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.63 -17.11 34.66 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.76 -17.08 63.85 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.49 -3.67 15.55 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.616 1.566 . . . . 0.0 114.738 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -51.31 119.57 12.93 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 125.18 1.392 . . . . 0.0 112.738 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.45 52.06 3.12 Favored 'Trans proline' 0 CA--C 1.55 1.286 0 C-N-CA 125.108 3.872 . . . . 0.0 114.106 -177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.35 169.04 41.06 Favored Glycine 0 CA--C 1.546 2.015 0 C-N-CA 124.624 1.107 . . . . 0.0 114.337 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.81 -11.51 23.86 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.116 3.211 . . . . 0.0 114.996 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.4 t0 . . . . . 0 N--CA 1.472 0.654 0 C-N-CA 124.838 1.255 . . . . 0.0 113.241 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo . . . . . 0 CA--C 1.539 0.763 0 N-CA-C 114.27 0.835 . . . . 0.0 114.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.78 -18.78 23.78 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.268 1.827 . . . . 0.0 115.144 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 40.5 ttt180 -117.98 21.31 12.9 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.276 1.831 . . . . 0.0 112.553 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 49.4 m -126.78 172.48 10.33 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.142 1.777 . . . . 0.0 112.082 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 22.3 pt -58.98 146.45 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.204 1.401 . . . . 0.0 113.086 -179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 74.4 m -91.47 123.08 64.85 Favored Pre-proline 0 N--CA 1.473 0.677 0 C-N-CA 123.985 0.914 . . . . 0.0 109.168 176.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -62.93 -23.27 74.17 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 122.879 2.386 . . . . 0.0 114.139 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.3 p -64.32 -36.75 85.12 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.942 0.897 . . . . 0.0 112.314 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.18 74.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.386 1.074 . . . . 0.0 112.433 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 7.0 mp -65.05 -42.32 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.013 0.925 . . . . 0.0 110.029 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.55 -37.77 74.06 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 121.865 -0.522 . . . . 0.0 111.256 177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -65.98 -31.0 71.66 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.502 -0.749 . . . . 0.0 111.7 175.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.1 tt -63.29 -44.17 95.82 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.829 -1.169 . . . . 0.0 109.845 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.21 -48.55 79.51 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 118.902 -0.571 . . . . 0.0 112.357 177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -60.87 -34.41 74.58 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 119.676 1.125 . . . . 0.0 111.704 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.3 m -69.54 -43.82 72.2 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.391 1.076 . . . . 0.0 110.832 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.4 tp -65.47 -40.54 93.28 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.057 1.343 . . . . 0.0 112.483 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -65.29 -33.12 75.24 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.292 1.037 . . . . 0.0 113.603 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 36.1 m -72.63 159.95 84.06 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.496 1.118 . . . . 0.0 111.204 175.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -61.72 149.66 89.0 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 122.671 2.247 . . . . 0.0 113.461 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.5 t -77.86 147.57 35.07 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.274 1.429 . . . . 0.0 114.087 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 77.9 p -168.89 162.87 7.95 Favored Pre-proline 0 N--CA 1.473 0.689 0 C-N-CA 127.413 2.285 . . . . 0.0 109.931 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -56.2 -33.12 89.76 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.407 2.071 . . . . 0.0 111.731 173.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -67.37 -43.11 82.2 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.56 1.144 . . . . 0.0 110.64 176.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -64.47 -40.12 95.11 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.987 0.915 . . . . 0.0 111.438 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -60.44 -48.39 81.98 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.927 0.891 . . . . 0.0 109.919 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -58.78 -37.79 77.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.061 0.544 . . . . 0.0 111.658 176.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -60.8 -45.0 96.12 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.257 0.935 . . . . 0.0 112.516 177.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 94.7 t -64.85 -42.91 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.073 0.851 . . . . 0.0 110.277 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.01 -38.54 82.94 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.611 -0.681 . . . . 0.0 111.138 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -64.43 -46.11 84.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.756 1.162 . . . . 0.0 111.003 175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 60.4 mt -58.85 -44.97 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.974 1.31 . . . . 0.0 110.28 177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.26 -46.38 77.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.009 1.324 . . . . 0.0 112.166 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -62.33 -27.23 68.9 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.655 1.182 . . . . 0.0 112.533 177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.5 m -77.84 -7.5 56.75 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.536 1.134 . . . . 0.0 112.639 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.83 61.39 35.36 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.256 2.222 . . . . 0.0 110.149 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.65 -37.7 21.03 Favored 'Trans proline' 0 C--N 1.356 0.942 0 C-N-CA 124.182 3.254 . . . . 0.0 116.391 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -47.54 -47.85 27.88 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.852 1.661 . . . . 0.0 113.413 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.64 -30.72 26.65 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 22.8 ttp -80.01 -45.68 17.97 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.602 -0.686 . . . . 0.0 112.241 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.82 -28.91 69.81 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.485 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -74.89 -37.92 62.01 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 122.996 0.518 . . . . 0.0 112.066 176.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 83.2 t80 -73.31 -49.47 27.31 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.116 0.967 . . . . 0.0 112.687 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -54.78 -37.53 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.64 0.776 . . . . 0.0 111.45 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -60.92 -20.76 62.61 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -94.58 -42.28 8.89 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.515 1.126 . . . . 0.0 109.967 172.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -38.33 80.57 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.203 1.401 . . . . 0.0 112.958 178.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.0 t -57.13 -32.87 66.8 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.147 0.979 . . . . 0.0 113.073 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.49 -19.05 65.69 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.628 0.771 . . . . 0.0 113.032 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . 0.515 ' HA ' ' HE2' ' A' 2108 ' ' LYS . 0.6 OUTLIER -103.88 -1.01 28.37 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.535 1.934 . . . . 0.0 111.982 177.312 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.02 48.69 1.0 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 124.209 1.957 . . . . 0.0 112.321 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 46.0 t -140.48 121.46 14.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 129.683 3.193 . . . . 0.0 106.966 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -145.43 170.04 17.15 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.756 1.222 . . . . 0.0 113.234 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.81 161.57 37.75 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.509 1.924 . . . . 0.0 113.468 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -64.65 155.86 80.33 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 125.05 1.34 . . . . 0.0 112.853 177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -71.46 164.4 35.83 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.665 2.91 . . . . 0.0 113.123 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 135.01 -24.96 3.39 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.533 1.539 . . . . 0.0 114.1 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 25.4 ptp -81.82 -175.16 5.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.79 1.636 . . . . 0.0 113.023 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 48.3 tp60 . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 126.241 1.816 . . . . 0.0 112.495 -178.411 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 CA--C 1.536 0.598 0 N-CA-C 114.014 0.736 . . . . 0.0 114.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 pp -154.93 171.46 19.65 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.6 1.56 . . . . 0.0 112.256 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.3 m -147.35 109.44 4.49 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 122.814 1.292 . . . . 0.0 113.424 174.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -130.75 21.83 5.02 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.844 2.058 . . . . 0.0 107.038 169.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . 0.304 7.6 pt-20 42.67 49.0 4.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.711 2.805 . . . . 0.0 114.192 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 32.2 p -89.53 -171.9 3.38 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.933 2.893 . . . . 0.0 112.519 -177.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -47.2 -38.96 12.92 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.134 1.374 . . . . 0.0 114.571 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.3 p -65.19 -33.26 75.59 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.947 0.899 . . . . 0.0 113.094 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -76.13 -25.51 55.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.398 1.079 . . . . 0.0 112.662 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.4 mt -63.91 -34.47 78.03 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.567 -0.708 . . . . 0.0 110.829 177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -61.06 -32.94 72.56 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.221 0.609 . . . . 0.0 112.489 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.2 mtpt -74.57 -32.23 62.33 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.067 1.347 . . . . 0.0 112.027 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.77 -37.28 62.47 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.31 177.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 47.1 mt -67.4 157.36 85.85 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.481 1.513 . . . . 0.0 113.049 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.99 53.9 3.0 Favored 'Trans proline' 0 CA--C 1.546 1.115 1 C-N-CA 125.532 4.155 . . . . 0.0 114.099 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -48.06 -23.52 0.84 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.625 2.084 . . . . 0.0 116.625 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 54.2 p30 -77.25 -8.0 56.87 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -70.17 5.25 1.74 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.9 m -52.85 -23.82 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -86.45 1.33 51.77 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.053 1.341 . . . . 0.0 114.376 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 19.0 t -59.3 151.11 60.5 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 126.137 1.775 . . . . 0.0 113.237 178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -65.05 -14.06 43.18 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 122.927 2.418 . . . . 0.0 112.551 173.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.3 mt -132.81 75.86 71.95 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 127.086 2.154 . . . . 0.0 109.154 176.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -82.59 -143.81 0.03 OUTLIER 'Trans proline' 0 CA--C 1.548 1.198 0 C-N-CA 124.84 3.694 . . . . 0.0 110.723 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 32.8 p -57.02 -12.48 2.09 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -82.09 5.77 18.46 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.815 1.646 . . . . 0.0 113.814 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.57 -20.23 54.24 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.771 1.629 . . . . 0.0 113.819 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.0 mtt -75.97 19.39 0.22 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.538 1.935 . . . . 0.0 115.043 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -65.03 -25.9 68.04 Favored 'General case' 0 CA--C 1.547 0.852 0 O-C-N 120.622 -1.299 . . . . 0.0 113.965 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -139.2 12.91 2.61 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.345 1.458 . . . . 0.0 113.442 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.55 147.93 28.76 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.222 1.809 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.94 140.41 28.23 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.583 1.153 . . . . 0.0 112.052 -176.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.2 mt -69.01 167.46 15.87 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.965 0.888 . . . . 0.0 112.755 178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 73.2 m -127.97 165.08 32.84 Favored Pre-proline 0 CA--C 1.54 0.59 0 C-N-CA 127.095 2.158 . . . . 0.0 110.132 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -57.46 -24.09 59.31 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 122.03 1.82 . . . . 0.0 112.892 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.3 -33.13 67.36 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.391 1.476 . . . . 0.0 112.582 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -75.58 -30.17 59.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.418 1.087 . . . . 0.0 112.22 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.3 mt -78.3 -40.22 25.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.814 1.246 . . . . 0.0 110.397 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -75.46 -2.26 27.92 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.828 -1.17 . . . . 0.0 113.001 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -55.07 4.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.471 1.108 . . . . 0.0 112.944 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -26.48 67.9 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -174.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.66 -16.93 43.24 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.06 -21.58 66.84 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -72.44 -16.36 61.82 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.612 1.165 . . . . 0.0 113.638 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -64.54 116.89 32.5 Favored Pre-proline 0 CA--C 1.552 1.025 0 C-N-CA 125.017 1.327 . . . . 0.0 113.076 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -72.75 -20.45 22.79 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 123.445 2.763 . . . . 0.0 113.195 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.83 158.03 8.25 Favored Glycine 0 CA--C 1.545 1.913 0 C-N-CA 125.997 1.761 . . . . 0.0 114.172 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -65.98 -22.86 54.84 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.975 3.117 . . . . 0.0 115.648 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 C-N-CA 127.292 2.237 . . . . 0.0 114.699 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo . . . . . 0 CA--C 1.539 0.764 0 N-CA-C 114.927 1.087 . . . . 0.0 114.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 60.5 t30 -145.97 167.66 22.78 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.998 1.319 . . . . 0.0 112.459 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -71.28 -37.06 71.9 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.787 1.635 . . . . 0.0 113.262 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 71.8 p -74.13 158.33 34.39 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.204 1.002 . . . . 0.0 110.41 176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . 0.521 HG22 ' CD ' ' A' 2096 ' ' GLN . 1.4 pp -123.41 171.87 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.504 1.121 . . . . 0.0 113.413 -176.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 52.0 m -129.04 131.88 24.0 Favored Pre-proline 0 N--CA 1.476 0.871 0 C-N-CA 124.177 0.991 . . . . 0.0 112.945 -176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -73.47 -21.92 19.06 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 123.39 2.727 . . . . 0.0 113.495 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 33.1 p -73.73 -30.78 63.02 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.611 1.164 . . . . 0.0 113.605 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.31 -32.71 73.5 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.987 0.812 . . . . 0.0 111.467 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.0 mt -67.25 -44.29 79.78 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.514 1.526 . . . . 0.0 109.623 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -68.37 -36.83 79.78 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.959 -0.463 . . . . 0.0 111.419 176.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.81 -33.78 76.81 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.359 1.064 . . . . 0.0 111.628 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.28 -49.17 72.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 49.1 mt -57.95 -47.08 83.97 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 37.7 ptt85 -61.52 -26.96 68.26 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.411 1.005 . . . . 0.0 112.878 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 62.9 m -81.55 -42.27 20.4 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.952 1.301 . . . . 0.0 111.305 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 44.4 tp -56.73 -28.41 61.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.756 1.622 . . . . 0.0 113.007 178.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -59.71 -23.19 62.95 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.6 m -73.43 149.44 88.82 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.219 1.007 . . . . 0.0 111.011 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.32 153.94 73.93 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.959 2.439 . . . . 0.0 113.98 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 46.1 m -55.57 119.92 6.42 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.305 1.842 . . . . 0.0 113.42 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -166.84 161.69 11.28 Favored Pre-proline 0 N--CA 1.472 0.632 0 C-N-CA 125.25 1.42 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.72 -32.37 83.79 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.571 2.181 . . . . 0.0 111.788 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -62.96 -49.34 75.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.087 1.355 . . . . 0.0 111.033 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -62.2 -46.94 86.69 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.563 1.145 . . . . 0.0 110.747 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -58.98 -50.49 73.89 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.665 0.786 . . . . 0.0 111.607 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -62.31 -39.91 94.57 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.157 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -63.41 -47.35 82.34 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 120.037 1.289 . . . . 0.0 111.718 176.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.5 t -58.73 -43.71 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 CA-C-N 118.894 0.77 . . . . 0.0 110.681 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.73 -40.29 95.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.797 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -60.57 -43.68 97.02 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.899 1.227 . . . . 0.0 110.779 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 52.2 mt -62.7 -47.19 94.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.443 1.097 . . . . 0.0 109.86 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.8 mt -64.23 -36.25 83.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.911 0.885 . . . . 0.0 112.781 177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -61.67 -19.29 62.17 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.657 -1.277 . . . . 0.0 113.392 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.7 m -83.98 -4.21 58.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.381 1.073 . . . . 0.0 112.566 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.11 65.94 7.65 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 128.478 2.711 . . . . 0.0 107.933 179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.7 -27.59 68.62 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.961 2.441 . . . . 0.0 113.967 -175.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . 0.521 ' CD ' HG22 ' A' 2063 ' ' ILE . 0.0 OUTLIER -29.8 -71.53 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 128.847 2.859 . . . . 0.0 115.067 174.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . 0.502 ' H ' ' CG ' ' A' 2096 ' ' GLN . 3.3 pp -71.49 -34.7 70.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.254 2.222 . . . . 0.0 114.527 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 38.6 ttp -68.99 -45.09 71.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.72 0.691 . . . . 0.0 111.223 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.77 -46.1 91.05 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 111.665 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.73 84.46 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 121.527 -0.733 . . . . 0.0 112.037 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.37 -53.29 20.22 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.511 0.724 . . . . 0.0 111.946 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -45.14 99.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.367 0.985 . . . . 0.0 111.535 -177.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -58.04 -25.78 61.63 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.206 1.188 . . . . 0.0 114.206 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -99.13 -37.44 9.32 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.363 1.065 . . . . 0.0 112.176 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -29.22 67.29 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.513 1.525 . . . . 0.0 113.385 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.6 t -57.17 -34.56 68.59 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.238 1.015 . . . . 0.0 112.127 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -61.16 -14.53 25.64 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.089 1.356 . . . . 0.0 113.674 176.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -119.97 2.32 10.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.995 2.118 . . . . 0.0 113.196 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -81.51 73.97 8.53 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 124.311 2.005 . . . . 0.0 112.687 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 57.8 t -142.09 131.39 23.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 128.616 2.766 . . . . 0.0 108.051 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -65.9 123.12 18.95 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 3.5 p30 -157.52 -176.03 5.72 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.488 1.915 . . . . 0.0 112.037 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -116.02 117.29 39.51 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 125.296 1.438 . . . . 0.0 108.879 175.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.08 -12.99 26.06 Favored 'Trans proline' 0 CA--C 1.542 0.884 0 C-N-CA 123.486 2.791 . . . . 0.0 115.428 -176.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 87.13 1.68 84.19 Favored Glycine 0 CA--C 1.539 1.538 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 22.2 ptt? -152.24 176.53 11.49 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.715 1.606 . . . . 0.0 111.64 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 . . . . . 0 N--CA 1.473 0.701 0 C-N-CA 125.105 1.362 . . . . 0.0 112.757 179.702 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo . . . . . 0 CA--C 1.539 0.731 0 N-CA-C 114.192 0.805 . . . . 0.0 114.192 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -145.34 168.87 19.43 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.024 1.73 . . . . 0.0 112.211 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.6 m -66.43 123.35 19.75 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.702 0.801 . . . . 0.0 112.174 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -58.99 -15.36 12.74 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -81.29 -3.1 51.49 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.538 1.135 . . . . 0.0 113.368 178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 40.9 p -79.25 147.65 32.47 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.077 -1.014 . . . . 0.0 113.317 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -40.01 -49.99 2.53 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 115.529 1.677 . . . . 0.0 115.529 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 64.4 m -61.71 -36.69 81.64 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -87.6 -25.02 23.79 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.292 0.496 . . . . 0.0 112.08 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 77.8 mt -58.14 -33.23 68.95 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.544 0.738 . . . . 0.0 110.621 172.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 30.1 m95 -69.33 -46.49 66.95 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.903 0.774 . . . . 0.0 111.62 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -64.69 -30.9 71.92 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.447 1.499 . . . . 0.0 113.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.84 -17.68 64.47 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.783 1.233 . . . . 0.0 113.508 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 39.3 mt -114.78 64.43 1.56 Allowed Pre-proline 0 CA--C 1.556 1.208 0 C-N-CA 125.708 1.603 . . . . 0.0 115.124 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -81.45 -24.44 4.39 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 124.925 3.75 . . . . 0.0 114.625 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -20.46 55.87 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 117.362 2.356 . . . . 0.0 117.362 -173.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . 0.405 ' HA ' HD23 ' B' ' 32' ' ' LEU . 0.6 OUTLIER -133.71 17.08 3.92 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.844 1.258 . . . . 0.0 112.703 -179.223 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -79.55 -19.31 49.78 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 117.284 2.327 . . . . 0.0 117.284 -173.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 34.7 m -111.22 -8.2 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 125.381 1.472 . . . . 0.0 113.922 -177.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 29' ' ' ASN . 4.0 mm? -76.95 172.0 13.88 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 128.387 2.675 . . . . 0.0 111.234 177.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 64.1 m -58.17 155.14 27.16 Favored Pre-proline 0 N--CA 1.476 0.848 0 C-N-CA 124.652 1.181 . . . . 0.0 112.031 175.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -59.87 -26.54 82.61 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.253 2.636 . . . . 0.0 116.375 -176.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -149.41 145.18 18.8 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 124.247 1.019 . . . . 0.0 112.83 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.85 -29.47 1.29 Allowed 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.484 2.789 . . . . 0.0 113.973 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.0 t -157.16 -174.2 4.8 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.423 1.889 . . . . 0.0 110.318 -176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -71.48 26.41 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.501 2.32 . . . . 0.0 114.381 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.02 -12.17 1.35 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 128.097 2.559 . . . . 0.0 117.278 -177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 74.0 mtp -111.53 21.59 15.99 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.683 1.193 . . . . 0.0 113.174 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -46.89 -40.91 14.97 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -145.07 36.33 1.12 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.131 0.973 . . . . 0.0 113.216 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 pp -143.2 158.56 43.51 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.856 1.262 . . . . 0.0 112.288 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 21.6 tpp -158.06 161.19 38.0 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.181 1.392 . . . . 0.0 111.089 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.02 127.13 31.79 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.822 0.849 . . . . 0.0 110.775 178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 17.1 m -83.38 163.55 49.47 Favored Pre-proline 0 N--CA 1.47 0.557 0 C-N-CA 125.371 1.468 . . . . 0.0 110.824 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -60.9 -27.39 84.72 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 121.735 1.623 . . . . 0.0 111.172 175.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -36.01 76.74 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.603 1.961 . . . . 0.0 112.897 175.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -68.57 -30.92 69.8 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.566 -0.709 . . . . 0.0 111.608 176.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 18.9 mt -79.82 -40.35 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.755 1.222 . . . . 0.0 111.492 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -74.21 -0.24 16.23 Favored 'General case' 0 CA--C 1.55 0.972 0 O-C-N 120.566 -1.334 . . . . 0.0 113.512 177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -51.19 7.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.859 1.264 . . . . 0.0 114.022 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -25.38 62.46 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.03 -9.98 51.74 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -57.45 -26.1 60.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -81.82 -9.78 59.51 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.192 1.397 . . . . 0.0 113.479 177.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -156.01 70.49 5.15 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 126.67 1.988 . . . . 0.0 110.657 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -66.77 -13.19 38.97 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 124.02 3.146 . . . . 0.0 115.871 -175.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.48 165.9 26.65 Favored Glycine 0 CA--C 1.539 1.592 0 C-N-CA 124.614 1.102 . . . . 0.0 113.714 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.55 -14.95 27.64 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 123.88 3.054 . . . . 0.0 114.218 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 CA--C 1.541 0.631 0 C-N-CA 125.885 1.674 . . . . 0.0 111.752 179.751 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo . . . . . 0 CA--C 1.538 0.694 0 N-CA-C 114.583 0.955 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -71.76 115.3 10.8 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.797 1.239 . . . . 0.0 109.517 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -141.16 173.34 11.58 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.603 1.561 . . . . 0.0 112.093 -177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 49.9 m -121.41 -171.75 2.28 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.265 1.826 . . . . 0.0 111.711 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 44.8 pt -131.31 172.01 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.654 1.581 . . . . 0.0 111.366 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -132.79 148.84 71.08 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 124.451 1.1 . . . . 0.0 113.12 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -68.84 -25.59 32.96 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.657 2.905 . . . . 0.0 114.259 -178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 19.1 p -58.27 -36.51 73.37 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.769 1.628 . . . . 0.0 113.186 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.68 -41.9 82.51 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.634 1.173 . . . . 0.0 112.736 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.53 -34.64 76.21 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.059 0.544 . . . . 0.0 111.502 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 39.2 mm-40 -68.21 -40.43 82.13 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.899 -0.5 . . . . 0.0 110.374 176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 4.0 t70 -66.2 -34.39 77.92 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.792 0.837 . . . . 0.0 111.151 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -66.55 -44.01 83.51 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.407 -0.808 . . . . 0.0 109.974 175.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.66 -48.63 80.91 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.717 0.69 . . . . 0.0 111.595 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.2 ptt85 -63.19 -35.0 78.85 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.383 0.992 . . . . 0.0 111.871 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 55.4 m -62.11 -48.53 79.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.22 1.008 . . . . 0.0 110.361 174.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.18 -37.61 88.1 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.736 0.815 . . . . 0.0 112.094 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -63.31 -35.48 80.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.6 0.76 . . . . 0.0 112.706 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 48.9 m -70.62 152.25 95.32 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 123.848 0.859 . . . . 0.0 110.662 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -63.51 152.48 80.02 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.949 2.433 . . . . 0.0 114.501 -176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 14.0 p -61.85 133.66 55.74 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 126.038 1.735 . . . . 0.0 114.356 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 92.3 p -168.77 161.3 8.37 Favored Pre-proline 0 N--CA 1.472 0.652 0 C-N-CA 126.574 1.95 . . . . 0.0 110.44 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.7 Cg_exo -53.63 -34.9 75.48 Favored 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 122.668 2.245 . . . . 0.0 111.83 173.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -66.59 -39.95 88.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.756 1.222 . . . . 0.0 111.506 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.84 -45.04 87.82 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.414 0.686 . . . . 0.0 111.065 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -61.11 -44.7 96.95 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.228 1.011 . . . . 0.0 110.58 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.2 tp60 -63.1 -36.86 85.01 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.965 176.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -58.32 -40.48 82.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.194 0.906 . . . . 0.0 111.849 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 92.1 t -60.89 -46.66 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 CA-C-N 118.81 0.732 . . . . 0.0 109.972 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 9.9 mp -59.92 -36.84 77.87 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.828 0.74 . . . . 0.0 111.955 176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -63.06 -47.62 82.17 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 119.365 0.984 . . . . 0.0 110.923 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.4 mt -61.46 -46.12 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.462 1.505 . . . . 0.0 110.595 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 38.6 mt -66.36 -43.62 85.48 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.055 0.942 . . . . 0.0 111.842 178.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -66.17 -19.63 65.89 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 119.955 1.252 . . . . 0.0 113.388 175.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 49.5 m -80.26 -8.55 59.51 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.01 0.924 . . . . 0.0 111.873 172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -140.33 62.74 20.69 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 127.681 2.392 . . . . 0.0 109.405 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -56.33 -28.66 73.22 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.144 2.563 . . . . 0.0 115.497 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -51.49 -48.15 62.99 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.938 1.295 . . . . 0.0 112.874 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.58 -32.6 36.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 3.0 ppp? -80.33 -37.86 31.7 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.624 1.102 . . . . 0.0 113.673 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.72 70.75 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 118.665 0.666 . . . . 0.0 112.028 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -68.46 -42.39 78.83 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.998 -0.439 . . . . 0.0 111.002 174.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 43.1 t80 -60.75 -52.87 63.27 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.98 1.312 . . . . 0.0 111.979 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -37.89 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 119.089 0.858 . . . . 0.0 113.244 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -52.86 -32.77 46.5 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.304 0.956 . . . . 0.0 113.129 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -95.3 -40.72 9.4 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.805 0.842 . . . . 0.0 111.349 175.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -61.65 -30.98 71.07 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 5.0 t -55.46 -31.69 62.17 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.41 1.005 . . . . 0.0 112.775 178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -76.26 -9.88 58.97 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.042 1.337 . . . . 0.0 113.924 176.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -135.2 14.29 3.53 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.661 2.384 . . . . 0.0 113.433 -176.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.05 4.57 0.64 Allowed 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 117.239 2.311 . . . . 0.0 117.239 -175.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 9.7 p -56.61 -22.21 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.974 1.71 . . . . 0.0 113.159 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -56.22 -19.99 16.26 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.951 1.7 . . . . 0.0 114.631 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 11.7 m120 -123.27 19.31 9.83 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.291 1.437 . . . . 0.0 112.294 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -134.63 155.99 79.08 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.674 1.189 . . . . 0.0 112.457 -173.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.32 14.71 0.36 Allowed 'Trans proline' 0 CA--C 1.55 1.32 0 C-N-CA 124.263 3.308 . . . . 0.0 115.138 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -87.49 -8.64 73.76 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.99 1.281 . . . . 0.0 115.478 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.1 173.44 10.07 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 118.724 1.262 . . . . 0.0 113.389 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 125.119 1.368 . . . . 0.0 112.579 -179.684 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 CA--C 1.538 0.698 0 N-CA-C 113.97 0.719 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.75 171.57 13.87 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.17 1.788 . . . . 0.0 112.441 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 58.4 m -142.13 165.11 28.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.251 1.82 . . . . 0.0 110.92 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -63.69 9.07 0.07 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -118.62 7.52 11.76 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.042 2.137 . . . . 0.0 111.856 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 71.1 p -99.11 156.75 16.78 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.393 1.077 . . . . 0.0 113.367 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -54.01 -40.03 66.63 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.524 0.73 . . . . 0.0 112.247 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.5 m -60.85 -35.5 76.74 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.385 1.074 . . . . 0.0 112.773 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -77.39 -30.85 53.85 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 84.5 mt -55.71 -40.31 72.24 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.707 -0.621 . . . . 0.0 110.7 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -67.21 -15.68 63.85 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -88.65 -31.6 18.46 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.138 0.975 . . . . 0.0 111.078 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 87.3 mt -74.26 -47.15 36.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.517 1.127 . . . . 0.0 112.939 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -56.36 -54.26 55.0 Favored Pre-proline 0 CA--C 1.551 0.984 0 N-CA-C 117.35 2.352 . . . . 0.0 117.35 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . 0.264 28.9 Cg_endo -61.59 9.69 0.08 OUTLIER 'Trans proline' 0 CA--C 1.538 0.688 1 C-N-CA 125.547 4.164 . . . . 0.0 119.238 -174.866 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.96 -16.72 32.48 Favored 'General case' 0 CA--C 1.551 1.01 0 CA-C-N 120.673 1.579 . . . . 0.0 112.933 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 43.2 p30 -107.57 15.39 24.8 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.349 2.26 . . . . 0.0 112.718 176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.25 6.82 3.08 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.404 1.881 . . . . 0.0 113.147 -177.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 27.3 m -54.82 -18.11 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.772 2.029 . . . . 0.0 116.234 -178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -133.69 -6.26 2.84 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 41.9 t -157.7 129.85 4.13 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 124.256 1.022 . . . . 0.0 111.656 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -86.58 3.93 6.56 Favored 'Trans proline' 0 CA--C 1.544 0.987 0 C-N-CA 124.515 3.477 . . . . 0.0 115.067 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 mp -71.95 120.12 78.36 Favored Pre-proline 0 CA--C 1.554 1.123 0 O-C-N 120.426 -1.421 . . . . 0.0 112.721 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -83.42 179.14 5.19 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 124.267 3.311 . . . . 0.0 112.64 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 59.7 m -64.43 129.57 40.41 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.507 0.723 . . . . 0.0 109.381 170.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -73.48 15.89 0.23 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 -176.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -76.58 -3.87 39.91 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.23 1.812 . . . . 0.0 115.542 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 52.6 mtp -70.4 51.05 0.13 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.673 1.989 . . . . 0.0 115.344 -177.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -64.29 -43.62 94.18 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.884 -1.135 . . . . 0.0 113.621 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -150.31 -20.11 0.24 Allowed 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.75 139.19 58.35 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.276 1.43 . . . . 0.0 113.606 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 1.9 ttm -158.3 155.29 28.57 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.015 1.326 . . . . 0.0 111.865 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.53 167.95 8.11 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.965 1.306 . . . . 0.0 113.43 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.408 ' HB2' ' HD2' ' B' ' 47' ' ' PRO . 21.9 p -133.62 171.84 8.4 Favored Pre-proline 0 CA--C 1.545 0.767 0 C-N-CA 128.552 2.741 . . . . 0.0 110.602 -179.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' B' ' 46' ' ' SER . 44.0 Cg_endo -62.5 -22.98 74.69 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 C-N-CA 121.566 1.511 . . . . 0.0 112.495 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.0 -30.65 71.65 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.526 1.13 . . . . 0.0 111.863 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.28 -28.57 57.08 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.135 0.974 . . . . 0.0 111.962 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.7 mt -70.68 -36.06 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 O-C-N 121.407 -0.808 . . . . 0.0 109.448 175.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -84.89 0.73 50.07 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.459 -0.776 . . . . 0.0 112.77 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.12 -57.87 3.09 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.781 -1.199 . . . . 0.0 111.821 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -23.6 66.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -174.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.04 -13.64 35.52 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.661 0.986 . . . . 0.0 113.661 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -15.59 62.09 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -178.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -63.1 -12.35 26.5 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.957 1.303 . . . . 0.0 113.73 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -122.17 76.26 41.71 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 126.545 1.938 . . . . 0.0 109.907 176.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -69.18 -27.53 29.13 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.342 2.695 . . . . 0.0 114.306 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 151.83 178.24 26.36 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 124.557 1.075 . . . . 0.0 114.452 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -76.77 -4.0 14.44 Favored 'Trans proline' 0 CA--C 1.547 1.13 0 C-N-CA 124.633 3.556 . . . . 0.0 114.46 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 14.7 t70 . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 125.865 1.666 . . . . 0.0 112.631 -179.02 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo . . . . . 0 CA--C 1.54 0.784 0 N-CA-C 114.586 0.956 . . . . 0.0 114.586 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 65.0 t30 -143.37 28.51 1.49 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.907 1.683 . . . . 0.0 112.263 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -59.31 126.17 26.56 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.298 1.839 . . . . 0.0 113.051 -178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 98.2 p -165.94 -169.18 1.43 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.438 1.895 . . . . 0.0 111.155 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . 0.404 ' CG2' HE21 ' A' 2096 ' ' GLN . 37.5 pt -136.03 161.54 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.933 1.693 . . . . 0.0 110.276 175.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 16.8 m -154.74 146.87 17.33 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 124.844 1.258 . . . . 0.0 111.502 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -71.79 -19.87 26.88 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 123.608 2.872 . . . . 0.0 113.612 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 35.4 p -57.74 -33.68 68.71 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.298 0.954 . . . . 0.0 112.788 177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.28 67.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.425 1.09 . . . . 0.0 112.752 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 5.9 mp -69.03 -46.07 68.88 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.967 0.907 . . . . 0.0 109.974 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -65.22 -38.71 91.26 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.493 -0.755 . . . . 0.0 110.837 175.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.61 -37.94 88.02 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.522 0.729 . . . . 0.0 111.787 178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.42 -49.09 75.12 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.646 0.778 . . . . 0.0 109.286 174.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.49 -47.34 84.42 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.284 0.633 . . . . 0.0 112.402 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -62.97 -27.24 69.26 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.184 0.902 . . . . 0.0 112.916 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 91.5 m -79.07 -43.69 23.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.465 1.106 . . . . 0.0 110.992 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 47.3 tp -62.36 -33.45 74.74 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.148 1.779 . . . . 0.0 112.887 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 55.5 mttm -72.73 40.99 0.09 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.203 1.801 . . . . 0.0 114.411 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.7 m -147.1 168.69 10.8 Favored Pre-proline 0 N--CA 1.477 0.892 0 C-N-CA 128.138 2.575 . . . . 0.0 110.801 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -54.6 149.99 37.33 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.95 3.1 . . . . 0.0 114.738 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 74.6 m -73.09 126.7 30.62 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.371 1.068 . . . . 0.0 112.382 178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.4 p -163.88 158.45 16.62 Favored Pre-proline 0 N--CA 1.474 0.753 0 C-N-CA 124.923 1.289 . . . . 0.0 111.909 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -62.89 -23.98 74.25 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 121.888 1.725 . . . . 0.0 111.633 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.82 -42.36 77.35 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.181 0.992 . . . . 0.0 110.61 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -61.86 -45.97 91.46 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.681 -0.637 . . . . 0.0 109.824 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -58.53 -45.27 89.22 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.21 0.604 . . . . 0.0 110.788 176.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.15 -42.69 91.3 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.54 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -63.9 -42.61 97.39 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.893 1.224 . . . . 0.0 111.908 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 76.9 t -62.1 -42.5 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 CA-C-N 119.332 0.969 . . . . 0.0 110.355 175.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.76 -39.32 93.8 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.405 -0.81 . . . . 0.0 111.379 174.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.86 -44.07 97.52 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.403 1.001 . . . . 0.0 110.514 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 56.0 mt -63.93 -42.17 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.426 1.491 . . . . 0.0 110.922 177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 89.6 mt -72.18 -36.1 69.17 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.324 1.05 . . . . 0.0 113.11 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -58.22 -24.8 60.43 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 124.752 1.221 . . . . 0.0 113.969 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.8 m -78.61 -6.77 56.53 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.462 1.105 . . . . 0.0 113.325 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -146.79 64.68 9.4 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 127.615 2.366 . . . . 0.0 109.356 -178.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -62.07 -23.54 75.75 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 123.506 2.804 . . . . 0.0 115.673 -174.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . 0.404 HE21 ' CG2' ' A' 2063 ' ' ILE . 4.5 mp0 -45.87 -47.64 16.06 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.148 1.379 . . . . 0.0 113.562 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.9 pp -84.01 -34.71 24.25 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.878 1.806 . . . . 0.0 115.878 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 7.4 ptm -80.17 -34.64 37.38 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 119.489 1.04 . . . . 0.0 113.317 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -65.63 -35.77 81.75 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.387 0.54 . . . . 0.0 111.764 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.08 83.14 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 121.617 -0.677 . . . . 0.0 111.499 175.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -62.77 -52.94 61.25 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.637 0.375 . . . . 0.0 111.862 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -43.24 86.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 CA-C-N 118.937 0.79 . . . . 0.0 111.846 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -63.07 -14.84 53.22 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.29 1.219 . . . . 0.0 114.29 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.71 -41.74 7.55 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.495 1.118 . . . . 0.0 110.346 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -58.0 -42.04 84.32 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.404 1.882 . . . . 0.0 112.052 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.1 t -58.17 -30.09 66.13 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.173 1.389 . . . . 0.0 113.937 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.76 -33.39 75.07 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.095 -1.003 . . . . 0.0 112.975 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 26.9 tptp -89.7 -18.31 26.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.521 1.128 . . . . 0.0 112.136 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.65 21.99 0.14 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.329 2.252 . . . . 0.0 114.458 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 21.7 t -99.33 69.48 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.831 1.652 . . . . 0.0 109.0 178.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -145.14 -6.87 0.64 Allowed 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -146.65 126.5 13.54 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.549 1.54 . . . . 0.0 109.341 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -159.0 147.15 13.71 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.188 1.395 . . . . 0.0 111.644 -177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -77.21 -19.58 13.39 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.467 2.778 . . . . 0.0 113.681 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -79.39 75.21 2.12 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.696 1.617 . . . . 0.0 113.063 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 70.5 mtm -130.46 157.01 43.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.895 1.278 . . . . 0.0 112.691 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 45.9 tt0 . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 125.347 1.459 . . . . 0.0 112.094 177.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo . . . . . 0 CA--C 1.539 0.731 0 N-CA-C 114.152 0.789 . . . . 0.0 114.152 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 pp -150.15 176.13 11.11 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.358 1.863 . . . . 0.0 111.623 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.3 m -135.85 157.06 47.79 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.96 15.27 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.497 2.319 . . . . 0.0 115.9 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -128.4 19.3 6.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.142 2.177 . . . . 0.0 110.976 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 24.9 p -130.88 -171.4 2.56 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.45 1.9 . . . . 0.0 111.748 -176.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -45.55 -34.04 3.1 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.703 1.601 . . . . 0.0 113.985 176.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -53.99 -36.64 63.14 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.526 1.13 . . . . 0.0 113.338 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -85.06 -26.33 27.05 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.56 -38.77 88.68 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.755 -0.591 . . . . 0.0 109.675 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -66.12 -20.95 66.31 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 176.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -83.02 -6.34 59.45 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.531 1.133 . . . . 0.0 112.407 177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 78.3 mt -119.14 -45.39 2.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.552 1.541 . . . . 0.0 112.481 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 mt -51.54 -50.78 74.87 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 118.943 2.942 . . . . 0.0 118.943 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -49.36 -9.33 0.12 Allowed 'Trans proline' 0 CA--C 1.536 0.586 1 C-N-CA 125.792 4.328 . . . . 0.0 118.36 -175.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.93 -26.75 68.96 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 120.405 1.457 . . . . 0.0 112.893 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -90.7 -5.37 55.85 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.053 1.341 . . . . 0.0 113.595 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.72 139.87 40.63 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.312 -0.868 . . . . 0.0 112.415 -179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 37.8 t -155.12 122.98 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.211 0 C-N-CA 127.837 2.455 . . . . 0.0 104.816 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -111.74 133.96 53.62 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 126.196 1.798 . . . . 0.0 111.582 -176.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.9 p -162.32 -179.09 0.95 Allowed Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 127.528 2.331 . . . . 0.0 108.749 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -67.78 -11.97 33.86 Favored 'Trans proline' 0 CA--C 1.549 1.264 0 CA-C-N 122.137 1.799 . . . . 0.0 113.269 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -137.3 74.2 48.79 Favored Pre-proline 0 CA--C 1.552 1.037 0 C-N-CA 127.039 2.136 . . . . 0.0 110.088 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.07 -29.39 22.46 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.896 2.397 . . . . 0.0 113.149 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 36.8 t -161.19 141.4 10.92 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.066 1.746 . . . . 0.0 110.118 179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -99.57 1.92 44.22 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.882 0.873 . . . . 0.0 112.655 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -77.72 -26.64 50.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.747 1.219 . . . . 0.0 112.944 178.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.4 -1.56 0.8 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.248 2.219 . . . . 0.0 115.061 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -59.34 -32.88 70.5 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.18 2.192 . . . . 0.0 115.01 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -146.95 16.94 1.23 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -175.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp -144.03 155.94 44.19 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.898 -1.126 . . . . 0.0 113.723 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.5 tpp -160.51 166.98 28.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.22 1.808 . . . . 0.0 110.687 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 mt -64.02 175.21 1.27 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.235 1.414 . . . . 0.0 113.285 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -131.98 160.87 65.89 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 128.083 2.553 . . . . 0.0 110.014 -178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -56.08 -22.62 40.19 Favored 'Trans proline' 0 CA--C 1.546 1.078 0 C-N-CA 122.138 1.892 . . . . 0.0 112.014 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -59.19 -35.76 74.16 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.385 1.474 . . . . 0.0 112.393 174.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -69.44 -30.3 68.19 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.006 0.922 . . . . 0.0 111.765 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 11.0 mt -77.71 -45.56 28.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.477 1.111 . . . . 0.0 110.791 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.29 -5.29 38.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.48 -0.762 . . . . 0.0 112.979 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.3 -59.99 2.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.794 1.238 . . . . 0.0 112.628 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -26.43 68.1 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 115.823 1.786 . . . . 0.0 115.823 -172.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.67 -10.28 49.08 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -24.3 25.86 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 115.9 1.815 . . . . 0.0 115.9 -174.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.26 162.65 14.28 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 -173.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.27 165.08 20.01 Favored Pre-proline 0 CA--C 1.552 1.021 0 C-N-CA 128.687 2.795 . . . . 0.0 109.123 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -66.06 -16.43 52.27 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.94 3.093 . . . . 0.0 114.865 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -179.09 63.2 0.08 OUTLIER Glycine 0 CA--C 1.538 1.515 0 CA-C-O 118.569 -1.128 . . . . 0.0 114.012 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -78.59 -169.37 0.77 Allowed 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.154 3.236 . . . . 0.0 111.714 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 CA--C 1.542 0.647 0 C-N-CA 126.176 1.79 . . . . 0.0 112.838 179.072 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 CA--C 1.542 0.921 0 N-CA-C 114.035 0.744 . . . . 0.0 114.035 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 62.6 t30 -138.24 26.07 2.67 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.912 1.685 . . . . 0.0 112.678 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.54 179.15 7.88 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.258 1.423 . . . . 0.0 113.751 -178.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 8.3 t -137.75 -161.18 1.14 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.848 2.059 . . . . 0.0 110.089 178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . 0.422 HG23 HE21 ' A' 2096 ' ' GLN . 39.2 pt -126.0 161.49 31.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.344 1.457 . . . . 0.0 112.371 -178.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 75.0 m -141.33 139.83 19.67 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.29 1.436 . . . . 0.0 110.419 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -64.3 -25.71 64.23 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 123.1 2.533 . . . . 0.0 113.694 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.4 p -65.01 -35.13 80.19 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.923 1.289 . . . . 0.0 113.464 178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.8 74.02 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.678 -0.639 . . . . 0.0 112.237 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.9 -34.99 74.26 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.538 -0.727 . . . . 0.0 110.356 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -67.88 -34.24 76.28 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.502 -0.748 . . . . 0.0 110.069 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 3.3 t70 -66.68 -31.04 71.46 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.157 0.983 . . . . 0.0 111.213 175.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.6 tt -68.09 -39.39 82.89 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.797 -1.19 . . . . 0.0 109.349 172.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 40.5 mt -62.77 -41.21 99.12 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 117.863 -1.065 . . . . 0.0 112.421 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 39.5 ptt85 -59.75 -31.24 69.46 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 121.141 1.791 . . . . 0.0 111.743 175.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 36.2 m -72.84 -42.77 63.41 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.258 1.423 . . . . 0.0 110.238 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.59 -40.62 97.48 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.857 1.263 . . . . 0.0 111.575 174.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -71.6 6.86 1.67 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.548 1.539 . . . . 0.0 113.878 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 58.8 m -121.69 150.62 55.71 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.283 1.833 . . . . 0.0 110.825 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -69.35 152.18 71.42 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.293 2.662 . . . . 0.0 114.435 -175.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 25.0 m -61.05 136.9 58.22 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.685 1.594 . . . . 0.0 114.013 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 79.4 p -166.09 164.0 11.59 Favored Pre-proline 0 N--CA 1.473 0.675 0 C-N-CA 126.827 2.051 . . . . 0.0 109.724 176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.01 -32.97 88.07 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.362 2.042 . . . . 0.0 111.711 174.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -68.86 -44.26 73.69 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.776 1.231 . . . . 0.0 110.784 176.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -43.54 98.52 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.812 0.845 . . . . 0.0 111.049 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.34 -47.01 85.12 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.42 1.088 . . . . 0.0 110.533 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -64.92 -38.82 92.24 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.901 -0.499 . . . . 0.0 112.019 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -57.96 -48.03 81.15 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.371 0.987 . . . . 0.0 111.354 175.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 93.3 t -57.5 -49.75 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.703 0.683 . . . . 0.0 110.315 176.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 84.1 mt -60.28 -42.89 96.41 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -62.86 -47.76 81.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.256 0.934 . . . . 0.0 111.732 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 70.4 mt -62.4 -43.13 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 110.834 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.7 mt -66.73 -46.56 75.07 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.612 -0.68 . . . . 0.0 111.394 176.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -63.35 -19.57 64.75 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.133 -0.979 . . . . 0.0 113.307 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 59.9 m -78.17 -7.93 57.67 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.102 0.961 . . . . 0.0 111.968 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -137.44 58.02 15.92 Favored Pre-proline 0 CA--C 1.558 1.28 0 C-N-CA 127.33 2.252 . . . . 0.0 110.863 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.35 -35.43 44.37 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 123.688 2.926 . . . . 0.0 115.967 -175.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . 0.422 HE21 HG23 ' A' 2063 ' ' ILE . 4.1 mp0 -52.23 -48.68 65.02 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.207 1.403 . . . . 0.0 112.928 -178.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -35.34 23.93 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 1.8 ppp? -73.13 -36.14 66.64 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.477 1.035 . . . . 0.0 113.451 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.44 -36.9 83.94 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.975 0.807 . . . . 0.0 111.795 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.99 62.73 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 122.035 -0.416 . . . . 0.0 110.325 175.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.83 -52.86 63.27 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.145 0.978 . . . . 0.0 113.508 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' 2102 ' ' ILE . 0.1 OUTLIER -58.37 -42.31 83.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.932 0.787 . . . . 0.0 110.745 -179.163 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -66.16 -26.07 67.25 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.021 -1.049 . . . . 0.0 113.259 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -72.71 -43.54 62.89 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.931 1.241 . . . . 0.0 109.569 171.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -45.05 89.35 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.164 1.786 . . . . 0.0 112.717 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 1.8 t -61.76 -38.33 87.6 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.316 1.447 . . . . 0.0 113.05 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -62.28 -11.91 17.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.361 1.064 . . . . 0.0 113.204 175.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -127.78 19.5 6.64 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.251 2.621 . . . . 0.0 112.068 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 1.1 t80 -138.22 30.47 2.43 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.889 2.476 . . . . 0.0 111.648 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 9.9 p -119.22 19.85 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 127.236 2.214 . . . . 0.0 111.32 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -62.37 165.92 5.57 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.536 1.934 . . . . 0.0 114.631 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -57.27 149.39 20.22 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.925 1.29 . . . . 0.0 112.067 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -107.31 150.8 40.45 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.486 1.114 . . . . 0.0 112.515 -177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -56.14 157.48 17.25 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.771 2.981 . . . . 0.0 113.504 176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -164.68 53.24 0.28 Allowed Glycine 0 N--CA 1.472 1.08 0 C-N-CA 123.633 0.635 . . . . 0.0 114.054 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 92.4 mtp -134.01 161.85 33.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.19 1.396 . . . . 0.0 112.221 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.472 0.66 0 C-N-CA 125.249 1.419 . . . . 0.0 112.455 179.733 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo . . . . . 0 CA--C 1.541 0.865 0 N-CA-C 113.736 0.629 . . . . 0.0 113.736 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -134.9 178.52 6.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.303 2.241 . . . . 0.0 111.403 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -57.95 133.13 55.21 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.248 -0.908 . . . . 0.0 113.348 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 60.0 mm-40 -80.99 43.77 0.72 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.689 1.595 . . . . 0.0 113.477 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -142.07 1.12 1.42 Allowed 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.127 2.171 . . . . 0.0 112.754 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 67.3 p -85.43 -176.37 6.08 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.787 2.035 . . . . 0.0 111.847 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.54 -36.3 10.24 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 68.2 m -64.06 -23.69 67.42 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.434 1.094 . . . . 0.0 113.903 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -90.83 -28.32 18.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.193 0.997 . . . . 0.0 111.281 176.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 mt -58.52 -32.94 69.31 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.425 -0.797 . . . . 0.0 111.595 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -64.44 -32.14 73.64 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.853 0.751 . . . . 0.0 112.302 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -84.4 -30.33 25.46 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.887 1.675 . . . . 0.0 113.587 -178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.01 -27.05 68.04 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 -177.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 mt -57.81 112.04 4.26 Favored Pre-proline 0 CA--C 1.552 1.036 0 CA-C-N 119.99 1.268 . . . . 0.0 111.585 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -89.68 -16.97 1.85 Allowed 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.328 2.686 . . . . 0.0 115.563 -175.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -119.79 -5.48 10.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -136.77 25.39 3.08 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.006 1.723 . . . . 0.0 109.932 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -55.29 -42.49 73.68 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.669 1.188 . . . . 0.0 113.243 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 30.4 m -144.31 -18.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 C-N-CA 128.267 2.627 . . . . 0.0 113.245 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.419 HD22 ' H ' ' B' ' 32' ' ' LEU . 2.3 mm? -67.67 169.65 9.1 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.078 2.151 . . . . 0.0 112.716 -178.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 45.8 p -136.31 51.13 4.71 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.389 1.476 . . . . 0.0 114.062 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -75.44 -25.43 11.2 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 123.05 2.5 . . . . 0.0 114.493 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 80.6 mt -70.93 150.8 95.1 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 123.955 0.902 . . . . 0.0 112.648 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -48.44 170.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 1 C-N-CA 125.434 4.089 . . . . 0.0 118.785 -178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.6 m -62.66 -8.12 6.02 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.703 2.401 . . . . 0.0 115.598 177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -55.52 138.33 46.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.581 1.552 . . . . 0.0 113.029 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.49 -160.7 1.08 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.964 1.706 . . . . 0.0 110.127 177.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 10.1 mtp -76.3 31.71 0.12 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.242 1.417 . . . . 0.0 113.76 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.38 -33.16 69.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.986 1.715 . . . . 0.0 115.48 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -147.21 26.22 1.08 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.706 1.202 . . . . 0.0 113.034 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.62 157.77 42.6 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.986 1.314 . . . . 0.0 113.279 -177.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -155.16 147.05 23.43 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.266 1.426 . . . . 0.0 111.376 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.7 163.35 19.26 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.359 1.064 . . . . 0.0 112.89 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 64.3 m -131.0 155.93 80.86 Favored Pre-proline 0 N--CA 1.472 0.638 0 C-N-CA 126.594 1.958 . . . . 0.0 110.138 178.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -60.28 -25.21 79.61 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.722 2.282 . . . . 0.0 113.808 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -59.92 -35.01 74.0 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.041 0.936 . . . . 0.0 112.555 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.61 -28.88 64.09 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.099 0.96 . . . . 0.0 111.639 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 21.8 mt -82.55 -42.13 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 125.198 1.399 . . . . 0.0 111.364 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.08 -2.83 13.97 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.263 -1.523 . . . . 0.0 113.587 177.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -79.79 -44.35 20.8 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.951 1.3 . . . . 0.0 113.897 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -78.4 -18.34 55.14 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.955 2.206 . . . . 0.0 116.955 -172.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -9.2 50.92 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 2.6 t -57.98 -23.83 55.56 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.184 1.394 . . . . 0.0 114.699 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -72.35 13.14 0.36 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.058 1.743 . . . . 0.0 114.799 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -125.99 70.43 67.42 Favored Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.694 1.998 . . . . 0.0 110.238 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.73 -23.35 19.44 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 123.895 3.063 . . . . 0.0 115.591 -175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.04 -179.16 40.92 Favored Glycine 0 CA--C 1.539 1.59 0 CA-C-N 119.252 0.933 . . . . 0.0 114.649 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -73.23 -18.58 23.38 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 124.151 3.234 . . . . 0.0 114.297 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 125.725 1.61 . . . . 0.0 111.888 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 0 CA--C 1.538 0.703 0 N-CA-C 114.795 1.036 . . . . 0.0 114.795 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -73.13 -12.77 61.02 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -144.52 165.38 28.13 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.614 1.966 . . . . 0.0 111.889 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 84.4 p -116.0 -7.17 11.97 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.917 1.687 . . . . 0.0 115.044 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 3.9 pt -158.17 162.51 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 129.352 3.061 . . . . 0.0 108.858 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.3 m -125.21 142.68 42.12 Favored Pre-proline 0 N--CA 1.478 0.961 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.67 -18.68 37.3 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 123.656 2.904 . . . . 0.0 113.013 178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 18.1 p -54.27 -35.53 62.63 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.426 1.09 . . . . 0.0 112.134 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.88 62.23 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.286 1.435 . . . . 0.0 113.233 176.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 3.6 mp -68.43 -43.32 77.38 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.018 0.927 . . . . 0.0 110.408 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -68.45 -42.5 78.74 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.947 -0.47 . . . . 0.0 110.841 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -63.64 -35.86 81.92 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.771 -0.581 . . . . 0.0 111.965 177.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 5.0 tt -64.84 -49.9 68.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.199 -0.938 . . . . 0.0 109.322 175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.79 -39.33 88.49 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.483 -0.77 . . . . 0.0 112.838 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 31.3 ptt85 -67.39 -31.65 72.01 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-N 120.221 1.373 . . . . 0.0 111.658 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 83.3 m -72.0 -38.3 69.68 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.884 1.274 . . . . 0.0 111.514 176.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -57.08 -36.39 70.53 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.342 1.457 . . . . 0.0 111.334 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.49 -26.51 65.34 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.829 1.418 . . . . 0.0 114.829 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.2 m -64.81 154.9 84.53 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 124.189 0.996 . . . . 0.0 113.165 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -72.55 169.0 22.88 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.817 2.345 . . . . 0.0 111.027 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 16.7 m -62.99 97.26 0.1 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.862 1.265 . . . . 0.0 110.843 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 46.4 p -148.52 159.18 39.3 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -67.79 -18.92 47.53 Favored 'Trans proline' 0 CA--C 1.543 0.958 0 C-N-CA 122.366 2.044 . . . . 0.0 111.631 174.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -68.27 -40.13 81.94 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.294 -0.879 . . . . 0.0 110.048 174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -63.94 -42.75 97.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.524 0.73 . . . . 0.0 110.52 175.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -56.59 -49.21 75.59 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.843 0.857 . . . . 0.0 110.404 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -59.81 -41.97 92.46 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.16 0.436 . . . . 0.0 111.509 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -63.04 -44.33 96.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.21 0.913 . . . . 0.0 112.385 177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 54.9 t -58.33 -45.89 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 118.626 0.648 . . . . 0.0 109.843 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 87.0 mt -62.24 -41.76 98.71 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.635 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -57.29 -46.98 82.62 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.515 1.507 . . . . 0.0 111.466 177.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 59.5 mt -65.0 -49.11 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.927 1.291 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.79 -39.43 80.15 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.819 0.847 . . . . 0.0 113.176 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -67.78 -16.68 64.24 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 119.773 1.17 . . . . 0.0 112.696 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 51.3 m -88.93 -8.89 53.33 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.715 1.206 . . . . 0.0 111.812 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -140.81 53.79 4.12 Favored Pre-proline 0 CA--C 1.558 1.264 0 C-N-CA 127.389 2.275 . . . . 0.0 110.057 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -60.84 -20.38 66.14 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.946 2.43 . . . . 0.0 115.121 -173.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -55.02 -46.65 75.28 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.204 1.402 . . . . 0.0 111.546 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.58 -28.52 28.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.72 0.808 . . . . 0.0 112.777 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 47.6 ttp -69.72 -48.55 59.09 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 118.96 0.8 . . . . 0.0 112.535 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.31 -34.07 77.3 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.27 70.63 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.934 -0.479 . . . . 0.0 111.311 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 18.4 t80 -72.15 -53.08 13.77 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.98 1.312 . . . . 0.0 112.818 178.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -47.24 78.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.834 0.854 . . . . 0.0 112.316 -176.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 24.8 mttt -62.52 -18.21 61.48 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.03 -41.29 7.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.597 1.159 . . . . 0.0 110.742 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.96 -38.62 86.56 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.148 1.779 . . . . 0.0 112.62 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 11.8 t -54.18 -29.19 44.85 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.108 0.963 . . . . 0.0 113.121 178.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -58.93 -21.46 58.03 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -122.67 -7.27 8.56 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.789 2.036 . . . . 0.0 113.486 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 22.9 t80 -120.72 19.06 11.9 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.941 1.696 . . . . 0.0 114.661 -177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 4.1 p -65.27 -30.37 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.687 1.195 . . . . 0.0 111.36 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -76.49 149.61 36.74 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.117 1.367 . . . . 0.0 112.76 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.02 178.67 2.62 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.482 1.513 . . . . 0.0 112.777 175.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -54.78 149.43 22.56 Favored Pre-proline 0 CA--C 1.55 0.951 0 C-N-CA 124.497 1.119 . . . . 0.0 111.833 176.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -73.15 -2.99 12.87 Favored 'Trans proline' 0 CA--C 1.546 1.104 0 C-N-CA 123.801 3.0 . . . . 0.0 115.305 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 120.44 -12.99 10.23 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 125.157 1.36 . . . . 0.0 114.769 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 18.9 ptp -68.42 174.81 3.78 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.628 1.171 . . . . 0.0 113.44 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 . . . . . 0 C--O 1.24 0.587 0 C-N-CA 125.24 1.416 . . . . 0.0 111.793 -179.064 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 CA--C 1.541 0.855 0 N-CA-C 113.512 0.543 . . . . 0.0 113.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -133.61 -9.77 2.8 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.432 1.893 . . . . 0.0 114.029 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 13.9 m -167.34 161.07 13.97 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 128.672 2.789 . . . . 0.0 108.927 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -131.47 20.33 4.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.038 0.935 . . . . 0.0 112.66 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.08 6.49 8.56 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 127.034 2.134 . . . . 0.0 112.043 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 53.1 p -99.18 -151.29 0.39 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 128.541 2.737 . . . . 0.0 109.28 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -46.02 -33.01 3.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.244 1.417 . . . . 0.0 113.608 175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.0 t -56.78 -33.01 66.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.259 1.424 . . . . 0.0 113.448 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -77.43 -25.78 51.01 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.145 0.978 . . . . 0.0 113.341 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 mt -64.4 -37.54 87.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.058 0.543 . . . . 0.0 110.684 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 18.3 m95 -59.26 -27.78 66.12 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -74.99 -23.06 58.2 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.663 1.185 . . . . 0.0 112.207 176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.5 mt -106.0 -43.32 4.88 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -174.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.01 -46.29 53.55 Favored Pre-proline 0 N--CA 1.481 1.092 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -52.61 -10.11 0.8 Allowed 'Trans proline' 0 CA--C 1.54 0.787 1 C-N-CA 125.948 4.432 . . . . 0.0 117.336 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -62.26 -28.89 70.02 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.122 1.328 . . . . 0.0 112.864 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -70.13 -32.31 70.26 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.045 0.938 . . . . 0.0 110.755 174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 58.79 -174.82 0.09 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 128.721 2.808 . . . . 0.0 114.519 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 32.9 m -96.74 -18.74 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.733 1.213 . . . . 0.0 113.422 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.84 3.77 3.92 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.559 1.943 . . . . 0.0 115.131 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 91.0 p -59.3 153.51 47.48 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 125.044 1.337 . . . . 0.0 113.023 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -68.31 -21.53 41.23 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 122.788 2.325 . . . . 0.0 113.815 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 64.4 mt -82.29 120.77 77.75 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.422 1.089 . . . . 0.0 110.974 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -79.11 175.96 10.31 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.639 2.892 . . . . 0.0 113.399 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 49.3 m -61.97 -13.02 21.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 126.604 1.962 . . . . 0.0 115.283 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -70.92 12.64 0.26 Allowed 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.637 1.718 . . . . 0.0 115.637 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.78 -21.99 66.27 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.681 1.593 . . . . 0.0 114.47 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 5.1 mmt -82.03 35.46 0.43 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.511 1.924 . . . . 0.0 113.835 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -58.66 -38.72 78.77 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -147.93 26.52 1.0 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 124.51 1.124 . . . . 0.0 113.529 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.92 154.81 43.72 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.497 1.519 . . . . 0.0 111.878 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 25.1 tpp -157.73 155.84 30.61 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.712 1.605 . . . . 0.0 110.957 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -52.38 146.71 9.1 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.464 1.506 . . . . 0.0 113.565 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -150.82 169.44 9.26 Favored Pre-proline 0 CA--C 1.545 0.759 0 C-N-CA 127.401 2.281 . . . . 0.0 111.097 -178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.24 -28.18 51.03 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 122.934 2.423 . . . . 0.0 114.216 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -58.11 -35.49 71.53 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.051 1.34 . . . . 0.0 112.954 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -70.38 -30.0 66.79 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.978 0.911 . . . . 0.0 111.876 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 6.2 mt -81.76 -46.29 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.171 1.388 . . . . 0.0 111.722 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.56 -2.67 17.78 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -81.26 -60.06 2.42 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.11 1.364 . . . . 0.0 111.91 178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.85 -22.43 60.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -174.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.27 -10.58 59.51 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.281 -0.887 . . . . 0.0 113.288 178.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.28 -13.48 58.41 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.172 1.389 . . . . 0.0 113.978 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -54.12 145.3 17.41 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -136.45 140.66 33.1 Favored Pre-proline 0 CA--C 1.549 0.939 0 C-N-CA 126.434 1.894 . . . . 0.0 110.302 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.2 -11.64 32.98 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.065 3.176 . . . . 0.0 116.56 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.57 59.71 0.18 Allowed Glycine 0 CA--C 1.538 1.513 0 CA-C-N 120.564 1.529 . . . . 0.0 116.478 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.19 -17.65 24.31 Favored 'Trans proline' 0 CA--C 1.545 1.035 0 C-N-CA 123.28 2.653 . . . . 0.0 113.559 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t0 . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 126.216 1.806 . . . . 0.0 111.751 179.806 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo . . . . . 0 CA--C 1.539 0.726 0 N-CA-C 114.429 0.896 . . . . 0.0 114.429 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 36.0 p-10 -53.56 -15.75 1.26 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 49.3 tpt85 -119.17 -3.69 10.57 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.445 1.898 . . . . 0.0 113.188 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 27.6 m -92.17 171.93 8.76 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.151 1.78 . . . . 0.0 113.252 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 46.5 pt -143.74 163.85 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 127.241 2.216 . . . . 0.0 109.267 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -128.67 136.19 28.75 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.031 0.932 . . . . 0.0 111.899 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -68.42 -22.17 39.55 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.939 2.426 . . . . 0.0 113.607 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.7 p -56.8 -33.88 67.13 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.366 0.985 . . . . 0.0 112.682 176.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.08 -31.6 69.04 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.962 1.305 . . . . 0.0 113.01 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 2.7 mp -68.78 -42.09 77.91 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.863 0.865 . . . . 0.0 109.657 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -65.1 -37.62 88.08 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.426 -0.797 . . . . 0.0 110.845 174.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -65.69 -36.13 82.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.6 -0.688 . . . . 0.0 112.102 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.55 -45.11 95.54 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.291 -0.881 . . . . 0.0 109.651 174.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.2 -44.56 95.0 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.772 -0.632 . . . . 0.0 112.319 177.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -63.13 -35.08 79.1 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.821 1.191 . . . . 0.0 111.645 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 92.2 m -66.56 -46.16 76.98 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.429 1.091 . . . . 0.0 110.528 175.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 50.4 tp -61.93 -39.85 93.48 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.351 1.06 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -70.28 -16.2 62.99 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.0 m -82.98 157.71 65.86 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.611 1.164 . . . . 0.0 110.167 174.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -66.0 145.91 80.93 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.591 2.194 . . . . 0.0 113.698 -176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 52.8 m -64.0 132.68 51.35 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.689 1.596 . . . . 0.0 113.993 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 86.4 p -168.37 162.69 8.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 C-N-CA 126.206 1.802 . . . . 0.0 110.856 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -54.12 -34.26 77.59 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.644 2.229 . . . . 0.0 111.725 173.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -67.96 -37.68 81.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.73 1.212 . . . . 0.0 111.291 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -66.67 -42.95 85.76 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.338 -0.851 . . . . 0.0 111.053 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -59.13 -46.58 87.99 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.824 0.85 . . . . 0.0 109.72 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -59.66 -37.03 77.63 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.131 0.972 . . . . 0.0 112.199 176.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -62.1 -43.21 99.34 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 120.245 1.384 . . . . 0.0 112.31 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 75.2 t -62.27 -42.59 95.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.474 1.034 . . . . 0.0 110.035 175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.97 -39.28 88.96 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.732 -0.605 . . . . 0.0 111.51 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -62.17 -46.37 89.27 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.941 1.246 . . . . 0.0 111.183 176.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 65.1 mt -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.261 1.425 . . . . 0.0 110.341 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.48 -42.18 87.87 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.716 1.207 . . . . 0.0 112.0 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -63.42 -20.06 65.23 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.502 1.121 . . . . 0.0 112.998 176.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 46.5 m -87.06 -7.89 57.64 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.722 1.209 . . . . 0.0 112.174 174.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -141.17 57.37 7.54 Favored Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 128.036 2.534 . . . . 0.0 109.198 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.39 -21.9 69.32 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.187 2.591 . . . . 0.0 116.188 -171.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.55 -49.2 73.3 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.17 0.988 . . . . 0.0 112.096 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.72 -27.21 50.5 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 31.8 ttp -74.48 -49.35 22.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.609 0.763 . . . . 0.0 112.61 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.61 80.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.59 0.756 . . . . 0.0 112.006 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.72 87.55 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.5 0.72 . . . . 0.0 112.041 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 54.9 t80 -73.24 -52.7 13.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.715 0.806 . . . . 0.0 112.814 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -37.17 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.442 -0.786 . . . . 0.0 112.485 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -57.03 -23.59 47.52 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -98.64 -34.91 10.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.185 0.902 . . . . 0.0 111.942 172.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -63.16 -35.43 80.27 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.723 1.209 . . . . 0.0 112.592 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 12.9 t -54.91 -34.11 62.8 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.039 0.836 . . . . 0.0 112.977 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -70.75 -9.89 58.29 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.701 1.201 . . . . 0.0 114.23 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -115.66 -8.84 12.04 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 126.648 1.979 . . . . 0.0 113.025 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.26 144.09 50.16 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.834 1.254 . . . . 0.0 110.663 177.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 38.2 t -130.5 101.06 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.527 1.131 . . . . 0.0 110.533 -177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -144.65 159.57 42.61 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.256 1.823 . . . . 0.0 110.965 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 13.1 p30 -61.76 151.31 34.41 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.29 0.636 . . . . 0.0 111.721 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -136.98 148.52 63.26 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 124.943 1.297 . . . . 0.0 111.753 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.92 157.28 16.98 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.925 3.084 . . . . 0.0 114.204 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 167.06 -5.11 0.05 OUTLIER Glycine 0 CA--C 1.54 1.617 0 N-CA-C 116.913 1.525 . . . . 0.0 116.913 178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.34 -162.9 1.57 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.366 1.466 . . . . 0.0 110.722 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 48.2 tp60 . . . . . 0 N--CA 1.47 0.541 0 C-N-CA 126.371 1.868 . . . . 0.0 111.574 -177.429 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo . . . . . 0 CA--C 1.541 0.843 0 N-CA-C 114.682 0.993 . . . . 0.0 114.682 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.0 -175.53 4.72 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.629 1.571 . . . . 0.0 113.193 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 32.6 m -49.52 156.73 0.6 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.639 2.375 . . . . 0.0 116.501 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.84 20.52 9.25 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.998 2.119 . . . . 0.0 111.977 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -131.92 20.81 4.55 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.356 2.262 . . . . 0.0 111.006 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 69.0 p -131.19 -168.78 2.06 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 127.098 2.159 . . . . 0.0 111.88 -176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -44.58 -36.22 2.93 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.725 1.61 . . . . 0.0 114.164 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -59.55 -27.8 66.54 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.056 1.342 . . . . 0.0 113.78 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.29 -21.0 24.67 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.237 1.015 . . . . 0.0 112.189 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 61.2 mt -65.84 -33.58 76.19 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.285 -0.885 . . . . 0.0 110.305 174.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 12.1 m95 -58.67 -31.43 68.18 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.73 -0.606 . . . . 0.0 112.076 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -80.61 -13.77 58.76 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.686 1.594 . . . . 0.0 113.5 177.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -100.94 -29.03 12.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.253 1.421 . . . . 0.0 112.188 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 23.8 mt -64.5 163.94 23.15 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 126.113 1.765 . . . . 0.0 112.059 175.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.44 55.16 2.5 Favored 'Trans proline' 0 CA--C 1.549 1.228 0 C-N-CA 124.999 3.8 . . . . 0.0 113.694 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -54.5 -6.94 0.12 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.955 2.502 . . . . 0.0 115.959 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -105.9 -1.94 23.56 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.845 2.058 . . . . 0.0 112.707 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -102.47 15.07 30.3 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.08 1.752 . . . . 0.0 112.225 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 29.8 m -63.39 -7.98 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 127.917 2.487 . . . . 0.0 115.818 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.61 -8.71 0.25 Allowed 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.331 2.253 . . . . 0.0 115.971 178.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 35.5 t -145.0 122.59 6.38 Favored Pre-proline 0 CA--C 1.541 0.618 0 C-N-CA 126.925 2.09 . . . . 0.0 107.451 174.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -72.98 -21.31 20.97 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 123.436 2.758 . . . . 0.0 115.977 -173.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.1 mt -145.88 147.74 33.44 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 124.643 1.177 . . . . 0.0 112.045 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 -36.53 10.14 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.024 2.483 . . . . 0.0 112.323 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -157.0 168.62 26.95 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.297 1.839 . . . . 0.0 111.352 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -83.92 5.96 23.49 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.36 -6.55 7.31 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 94.6 mmm -69.74 54.99 0.12 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.934 2.494 . . . . 0.0 113.539 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -136.99 -39.95 0.61 Allowed 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 127.004 2.121 . . . . 0.0 112.252 -177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -99.35 3.08 45.86 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.602 1.161 . . . . 0.0 112.31 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.44 130.21 21.6 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.202 2.201 . . . . 0.0 109.774 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.53 143.06 21.74 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.624 1.57 . . . . 0.0 110.14 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.0 mt -60.64 154.28 21.74 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.635 1.174 . . . . 0.0 113.802 -177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -115.02 165.23 14.53 Favored Pre-proline 0 N--CA 1.475 0.824 0 C-N-CA 127.33 2.252 . . . . 0.0 111.775 -179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -58.75 -25.47 76.03 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 C-N-CA 122.201 1.934 . . . . 0.0 113.453 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.33 -30.35 66.63 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.426 1.49 . . . . 0.0 112.384 174.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -76.59 -28.03 56.01 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.609 1.564 . . . . 0.0 112.079 176.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 19.3 mt -79.87 -42.81 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.546 1.138 . . . . 0.0 110.367 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -72.3 -1.3 14.84 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 121.254 -0.904 . . . . 0.0 113.316 177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.17 -57.4 3.81 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.923 1.289 . . . . 0.0 113.268 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.44 -18.41 59.89 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 117.066 2.247 . . . . 0.0 117.066 -172.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.75 -13.25 45.81 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t -60.35 -21.32 61.95 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -174.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -65.58 -18.52 65.38 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.25 121.62 81.02 Favored Pre-proline 0 CA--C 1.553 1.074 0 CA-C-N 119.835 1.198 . . . . 0.0 111.666 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.95 -6.72 18.45 Favored 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 123.92 3.08 . . . . 0.0 115.442 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.13 71.18 0.11 Allowed Glycine 0 CA--C 1.54 1.603 0 CA-C-O 118.376 -1.236 . . . . 0.0 114.153 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.13 -38.36 70.79 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 124.186 3.257 . . . . 0.0 115.629 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.273 1.029 . . . . 0.0 112.448 -179.742 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 CA--C 1.536 0.609 0 N-CA-C 115.025 1.125 . . . . 0.0 115.025 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 45.7 t30 -70.54 -15.97 62.83 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.023 1.119 . . . . 0.0 114.023 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -130.11 -7.37 4.36 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 91.7 p -79.89 -6.59 57.72 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 177.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.44 151.33 13.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 128.473 2.709 . . . . 0.0 109.091 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 73.0 m -143.96 148.24 41.32 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 123.901 0.88 . . . . 0.0 112.212 -179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.84 -24.31 54.14 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.173 2.582 . . . . 0.0 113.115 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 22.2 p -60.58 -35.17 75.44 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.64 1.576 . . . . 0.0 113.169 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -57.9 -38.5 75.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.673 0.789 . . . . 0.0 111.935 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.28 -31.27 65.6 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.524 0.73 . . . . 0.0 111.6 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -73.01 -40.37 65.24 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.397 -0.815 . . . . 0.0 110.207 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -66.29 -36.06 82.0 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.925 0.89 . . . . 0.0 111.433 176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.61 -50.26 73.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.104 0.962 . . . . 0.0 109.231 173.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.0 -46.4 89.39 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 177.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -61.84 -39.85 93.26 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 119.47 1.032 . . . . 0.0 111.434 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 54.0 m -67.19 -44.48 79.55 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.092 0.957 . . . . 0.0 110.926 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.16 -40.69 90.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.584 1.154 . . . . 0.0 112.176 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -65.75 -31.48 72.49 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 60.4 m -64.26 158.45 64.75 Favored Pre-proline 0 N--CA 1.475 0.816 0 C-N-CA 124.297 1.039 . . . . 0.0 112.173 178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -62.69 145.18 95.0 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.544 2.163 . . . . 0.0 111.997 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.7 t -65.92 134.52 53.15 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.393 1.077 . . . . 0.0 113.86 -176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.1 p -164.9 159.44 14.91 Favored Pre-proline 0 C--O 1.239 0.551 0 C-N-CA 126.781 2.033 . . . . 0.0 109.855 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -53.86 -35.59 80.16 Favored 'Trans proline' 0 CA--C 1.539 0.731 0 C-N-CA 122.465 2.11 . . . . 0.0 111.754 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -66.45 -40.62 89.55 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.057 1.343 . . . . 0.0 111.66 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -47.12 83.43 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.421 0.689 . . . . 0.0 110.963 176.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -59.61 -47.06 87.06 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.567 0.747 . . . . 0.0 110.367 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -57.66 -38.9 75.86 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.869 0.867 . . . . 0.0 112.293 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -62.54 -40.72 97.69 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.745 1.157 . . . . 0.0 112.374 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 47.4 t -65.61 -40.19 87.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.84 1.2 . . . . 0.0 110.164 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.95 -42.46 94.09 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.781 0.719 . . . . 0.0 110.645 174.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -61.44 -49.74 75.6 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.927 0.891 . . . . 0.0 110.867 177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.25 -47.5 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.371 1.468 . . . . 0.0 111.047 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 78.0 mt -68.2 -46.66 69.99 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.889 0.876 . . . . 0.0 112.823 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -64.24 -22.6 67.01 Favored 'General case' 0 N--CA 1.48 1.075 0 CA-C-N 119.417 1.008 . . . . 0.0 113.05 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 15.5 t -79.29 -13.76 59.45 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 112.415 174.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -132.53 61.64 58.19 Favored Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 127.037 2.135 . . . . 0.0 109.343 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.59 -27.26 61.37 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 123.18 2.586 . . . . 0.0 116.093 -171.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -52.3 -49.78 63.49 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.632 1.106 . . . . 0.0 113.241 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.63 -32.49 31.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 19.3 tmm? -72.44 -46.63 54.14 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.02 0.827 . . . . 0.0 112.2 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.3 82.68 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.72 95.41 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.093 0.557 . . . . 0.0 111.395 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.6 t80 -68.06 -52.84 30.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.631 1.172 . . . . 0.0 112.806 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.14 -41.54 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -175.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -59.92 -19.33 51.13 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -98.94 -49.51 4.51 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.584 1.154 . . . . 0.0 110.007 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -56.4 -35.49 67.81 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.585 1.154 . . . . 0.0 113.496 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.3 t -52.22 -31.82 33.82 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.186 1.394 . . . . 0.0 113.431 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -65.64 -12.33 52.42 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.905 1.282 . . . . 0.0 114.19 177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 42.9 tptt -142.62 6.43 1.64 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.282 1.833 . . . . 0.0 113.941 -177.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 14.4 t80 -78.66 115.14 18.16 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 123.305 1.526 . . . . 0.0 113.605 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 4.8 p -153.61 127.03 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 129.158 2.983 . . . . 0.0 108.362 178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -73.39 156.51 38.25 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.532 0.733 . . . . 0.0 112.96 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -143.45 175.72 9.72 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.53 1.532 . . . . 0.0 112.632 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -78.36 142.37 62.76 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 125.251 1.42 . . . . 0.0 109.67 174.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.05 149.03 28.4 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.171 3.247 . . . . 0.0 114.043 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . 177.78 52.45 0.07 OUTLIER Glycine 0 CA--C 1.532 1.142 0 N-CA-C 114.749 0.66 . . . . 0.0 114.749 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 97.3 mtp -59.42 105.57 0.36 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.445 1.098 . . . . 0.0 111.412 179.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 . . . . . 0 N--CA 1.473 0.685 0 C-N-CA 126.577 1.951 . . . . 0.0 110.132 -178.536 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 CA--C 1.539 0.752 0 N-CA-C 113.97 0.719 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.01 8.93 0.66 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t 70.12 -179.41 0.23 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.168 2.187 . . . . 0.0 114.09 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -56.82 -0.84 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 128.195 2.598 . . . . 0.0 116.427 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -73.6 -17.91 61.12 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.545 1.138 . . . . 0.0 113.521 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 72.7 p 0.4 -88.19 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 131.124 3.77 . . . . 0.0 117.434 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.76 -40.84 73.15 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.287 2.635 . . . . 0.0 114.111 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -66.47 -30.75 71.16 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.245 1.018 . . . . 0.0 110.837 175.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.96 -21.62 54.48 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.277 1.031 . . . . 0.0 112.942 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.9 mt -68.21 -32.27 72.37 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.538 1.063 . . . . 0.0 111.678 173.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -61.14 -36.16 79.02 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.97 0.805 . . . . 0.0 111.61 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -70.47 -25.16 63.04 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 126.303 1.841 . . . . 0.0 113.783 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 94.3 mt -74.1 -34.91 64.11 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -45.6 -58.52 5.89 Favored Pre-proline 0 N--CA 1.475 0.797 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -68.48 -1.52 7.56 Favored 'Trans proline' 0 CA--C 1.544 0.985 0 C-N-CA 124.436 3.424 . . . . 0.0 115.578 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -126.25 -6.86 6.49 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.35 2.29 5.12 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.443 1.097 . . . . 0.0 113.183 177.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -152.16 160.19 43.45 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.959 1.304 . . . . 0.0 111.722 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 15.6 t -147.83 109.59 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 N-CA-C 105.707 -1.961 . . . . 0.0 105.707 174.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 26.3 mt -71.12 170.68 12.41 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 112.7 -2.045 . . . . 0.0 113.51 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 80.4 p -63.01 151.76 85.3 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 123.597 0.759 . . . . 0.0 111.58 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.86 -9.38 25.94 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.113 2.542 . . . . 0.0 114.896 -178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.15 114.01 12.35 Favored Pre-proline 0 CA--C 1.551 1.012 0 C-N-CA 125.399 1.48 . . . . 0.0 109.995 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.66 -33.06 93.8 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.564 2.843 . . . . 0.0 116.548 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t -72.81 170.09 15.38 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 -175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 7.6 tm0? -154.79 138.07 15.75 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.273 2.229 . . . . 0.0 109.709 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -148.76 -179.05 6.69 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.138 0.975 . . . . 0.0 112.838 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 37.5 mtp -141.29 39.12 1.74 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.234 1.814 . . . . 0.0 111.112 -174.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -52.72 -25.68 11.82 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 117.405 2.372 . . . . 0.0 117.405 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -138.75 22.14 2.67 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.601 1.16 . . . . 0.0 112.956 -176.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -155.42 160.48 40.68 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.612 1.165 . . . . 0.0 113.571 -176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.93 134.9 9.98 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.25 1.42 . . . . 0.0 108.951 175.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.58 133.41 52.25 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -101.99 163.92 16.82 Favored Pre-proline 0 CA--C 1.54 0.588 0 C-N-CA 126.968 2.107 . . . . 0.0 111.582 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -61.82 -27.36 80.37 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 121.799 1.666 . . . . 0.0 112.197 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.32 -38.32 88.98 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.572 0.749 . . . . 0.0 112.435 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -74.85 -31.73 61.72 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.451 -0.78 . . . . 0.0 112.112 177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 28.8 mt -74.94 -37.52 41.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.751 0 C-N-CA 123.899 0.88 . . . . 0.0 110.536 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -76.05 -4.42 41.23 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 120.036 -1.665 . . . . 0.0 112.853 176.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -50.53 9.59 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 120.99 -1.069 . . . . 0.0 113.448 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.42 -25.84 67.71 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.528 2.047 . . . . 0.0 116.528 -173.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -10.29 44.26 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 -178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.25 -11.2 59.87 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 -174.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -59.94 -16.23 28.21 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 117.338 2.348 . . . . 0.0 117.338 -175.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -144.72 125.07 7.39 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 119.707 1.14 . . . . 0.0 110.985 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -73.31 -6.96 19.75 Favored 'Trans proline' 0 CA--C 1.546 1.096 0 C-N-CA 123.407 2.738 . . . . 0.0 115.794 -177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 51.08 56.03 16.21 Favored Glycine 0 CA--C 1.545 1.962 0 C-N-CA 125.166 1.365 . . . . 0.0 114.924 -179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -78.04 -10.8 16.56 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 124.024 3.149 . . . . 0.0 115.458 -175.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 N--CA 1.474 0.769 0 C-N-CA 124.644 1.177 . . . . 0.0 113.558 -178.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo . . . . . 0 CA--C 1.539 0.749 0 N-CA-C 114.817 1.045 . . . . 0.0 114.817 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 50.1 p-10 -119.58 6.17 11.05 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.091 1.756 . . . . 0.0 114.002 -178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -134.56 -14.63 2.19 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.638 1.975 . . . . 0.0 113.236 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 12.4 m -57.97 138.06 56.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.44 1.896 . . . . 0.0 114.08 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 33.8 pt -150.41 169.44 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 128.091 2.557 . . . . 0.0 109.385 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.7 m -130.35 132.42 24.02 Favored Pre-proline 0 N--CA 1.476 0.837 0 C-N-CA 124.061 0.944 . . . . 0.0 111.551 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -68.27 -21.15 42.03 Favored 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 123.061 2.507 . . . . 0.0 113.505 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 25.0 p -63.2 -31.97 73.25 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.676 1.19 . . . . 0.0 112.41 176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -59.13 -37.21 76.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.95 0.9 . . . . 0.0 111.869 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -68.29 -36.99 80.2 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.471 0.708 . . . . 0.0 111.217 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -66.58 -40.14 88.8 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.725 -0.61 . . . . 0.0 110.509 176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.65 -38.62 91.64 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.501 0.721 . . . . 0.0 111.169 174.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.65 -44.36 96.47 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.404 -0.81 . . . . 0.0 109.903 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 47.3 mt -62.52 -43.91 97.65 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.511 -0.757 . . . . 0.0 112.233 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -65.21 -33.4 75.9 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-N 120.331 1.423 . . . . 0.0 111.735 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 90.6 m -65.14 -44.33 88.99 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.572 1.149 . . . . 0.0 110.436 174.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.13 -44.18 92.96 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.302 1.441 . . . . 0.0 112.143 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 96.9 mttt -68.34 -26.58 65.68 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.455 1.102 . . . . 0.0 113.784 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 73.0 m -75.37 158.08 84.01 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.986 1.315 . . . . 0.0 111.667 176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -66.13 147.94 84.61 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.919 2.413 . . . . 0.0 113.038 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 13.2 t -70.43 142.72 51.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.662 1.185 . . . . 0.0 113.919 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 87.7 p -170.96 163.32 5.38 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 127.605 2.362 . . . . 0.0 109.769 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -53.63 -35.32 77.13 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.347 2.031 . . . . 0.0 111.643 173.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.73 -43.06 85.23 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.004 1.322 . . . . 0.0 111.125 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -63.94 -42.61 97.27 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.674 -0.641 . . . . 0.0 111.003 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -62.74 -43.56 98.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.339 0.656 . . . . 0.0 110.827 176.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -60.52 -38.47 84.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.731 0.813 . . . . 0.0 111.752 177.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -59.51 -39.39 83.67 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 119.274 0.943 . . . . 0.0 113.007 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.15 -49.82 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 118.869 0.758 . . . . 0.0 110.054 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 74.1 mt -63.51 -40.23 96.52 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.309 1.043 . . . . 0.0 110.963 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.55 -49.79 76.41 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.802 1.183 . . . . 0.0 111.264 176.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.04 -47.95 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.981 1.312 . . . . 0.0 110.856 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.0 -41.3 82.46 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.673 0.789 . . . . 0.0 112.972 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -64.93 -20.64 66.56 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.698 1.135 . . . . 0.0 112.734 175.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 7.7 t -85.01 -12.0 54.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.027 1.331 . . . . 0.0 111.875 174.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -134.97 57.96 24.72 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 127.352 2.261 . . . . 0.0 109.707 179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -62.25 -22.88 74.83 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.926 2.417 . . . . 0.0 114.819 -173.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.22 -51.49 67.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.021 0.928 . . . . 0.0 111.462 178.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.91 -35.09 62.24 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 36.2 ttp -68.47 -46.88 68.56 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.856 0.753 . . . . 0.0 111.921 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.84 95.79 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.516 0.726 . . . . 0.0 111.535 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.91 93.17 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.894 -0.504 . . . . 0.0 111.268 175.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 7.6 t80 -65.78 -53.29 42.38 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.598 0.759 . . . . 0.0 112.025 176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.36 -42.29 94.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-N 119.705 1.138 . . . . 0.0 112.931 -176.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -62.19 -17.68 58.83 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -98.6 -45.99 5.88 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.287 1.435 . . . . 0.0 109.686 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -57.41 -45.6 84.4 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.036 1.735 . . . . 0.0 112.661 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 4.9 t -54.08 -25.43 21.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.345 1.458 . . . . 0.0 114.502 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.85 60.85 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.244 1.018 . . . . 0.0 113.707 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 56.5 tptt -135.36 -25.13 1.35 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.842 2.057 . . . . 0.0 113.862 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 2.2 t80 -40.01 113.76 0.38 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 128.242 2.617 . . . . 0.0 114.985 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 29.3 m -73.98 29.04 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 C-N-CA 131.227 3.811 . . . . 0.0 114.2 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -66.05 -16.55 64.02 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 10.2 p30 -73.83 160.63 31.18 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.417 1.087 . . . . 0.0 112.704 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -153.68 157.53 32.65 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.244 1.418 . . . . 0.0 111.905 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.83 163.73 36.2 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.479 2.119 . . . . 0.0 111.312 175.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -161.73 39.17 0.39 Allowed Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.357 0.98 . . . . 0.0 113.834 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 39.2 tpp -139.56 68.82 1.36 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.429 1.492 . . . . 0.0 110.454 -178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 . . . . . 0 CA--C 1.54 0.578 0 C-N-CA 125.737 1.615 . . . . 0.0 111.421 -177.567 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 CA--C 1.539 0.731 0 N-CA-C 114.043 0.747 . . . . 0.0 114.043 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -147.33 179.77 7.41 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.696 1.598 . . . . 0.0 112.332 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 8.1 t -136.18 -170.83 2.74 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.526 1.53 . . . . 0.0 111.399 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -109.53 16.69 22.06 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.619 1.968 . . . . 0.0 110.84 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -128.94 17.72 6.17 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 128.624 2.769 . . . . 0.0 110.546 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 4.7 p -133.08 151.41 52.02 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.589 1.555 . . . . 0.0 115.144 -175.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -25.04 61.22 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 22.0 t -54.63 -36.54 64.62 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.266 1.026 . . . . 0.0 112.662 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.16 -21.31 62.19 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.149 0.98 . . . . 0.0 113.38 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.3 mt -70.97 -34.17 71.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.908 -1.12 . . . . 0.0 110.082 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -67.3 -44.25 79.68 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.265 0.626 . . . . 0.0 112.242 176.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -63.87 -18.31 64.05 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 92.4 mt -98.22 -7.53 29.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.289 1.436 . . . . 0.0 113.693 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 20.0 mt -42.99 -50.59 13.6 Favored Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.09 7.91 1.24 Allowed 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.641 2.894 . . . . 0.0 114.207 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.33 -32.93 67.21 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 120.207 1.367 . . . . 0.0 114.348 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -74.06 -16.27 61.04 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.836 1.254 . . . . 0.0 113.558 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . 0.277 12.2 p30 43.16 27.84 0.13 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 119.115 3.006 . . . . 0.0 119.115 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 14.3 t -147.42 114.3 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 127.14 2.176 . . . . 0.0 108.555 175.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.0 mt -110.88 168.85 9.17 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 128.333 2.653 . . . . 0.0 111.531 -178.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -60.97 153.83 63.56 Favored Pre-proline 0 CA--C 1.547 0.864 0 C-N-CA 123.923 0.889 . . . . 0.0 112.925 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.73 -8.69 15.84 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 122.943 2.428 . . . . 0.0 113.058 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 89.1 mt -89.08 151.91 47.48 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 126.244 1.818 . . . . 0.0 112.703 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -75.84 175.84 10.79 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.918 2.412 . . . . 0.0 112.142 176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.1 m -55.36 -23.48 24.38 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.079 1.752 . . . . 0.0 115.02 177.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -82.78 14.35 3.27 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.805 1.642 . . . . 0.0 115.184 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -7.98 17.99 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 59.3 mmm -73.68 37.03 0.09 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.902 2.481 . . . . 0.0 114.77 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.95 -28.61 69.94 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -142.8 -45.48 0.31 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.776 1.231 . . . . 0.0 112.569 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.26 133.75 52.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.107 0.563 . . . . 0.0 111.025 176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.49 143.86 24.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.651 1.58 . . . . 0.0 109.479 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.79 157.95 6.88 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.2 m -134.31 159.48 72.15 Favored Pre-proline 0 CA--C 1.54 0.565 0 C-N-CA 128.74 2.816 . . . . 0.0 108.984 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -57.5 -26.46 71.79 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 122.567 2.178 . . . . 0.0 114.067 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.71 -35.08 68.1 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.888 1.275 . . . . 0.0 113.509 177.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -74.76 -28.46 60.76 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.257 1.023 . . . . 0.0 112.622 176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.6 mt -85.71 -39.13 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 C-N-CA 125.296 1.438 . . . . 0.0 111.445 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.0 1.48 7.21 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.103 -0.998 . . . . 0.0 113.111 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -82.79 -60.41 2.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.116 1.366 . . . . 0.0 112.805 178.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -17.31 64.57 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -171.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -9.7 46.65 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.65 -22.88 64.38 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -11.4 91.58 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 129.267 3.027 . . . . 0.0 116.954 -178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -151.77 112.87 2.94 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 125.133 1.373 . . . . 0.0 110.548 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -57.83 -26.01 71.85 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.526 2.818 . . . . 0.0 113.551 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.05 -171.06 54.13 Favored Glycine 0 CA--C 1.541 1.691 0 C-N-CA 124.945 1.259 . . . . 0.0 115.069 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.26 -7.76 20.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 C-N-CA 124.249 3.3 . . . . 0.0 114.729 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 N--CA 1.473 0.678 0 C-N-CA 125.036 1.334 . . . . 0.0 111.788 -179.526 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo . . . . . 0 CA--C 1.538 0.706 0 N-CA-C 114.541 0.939 . . . . 0.0 114.541 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 52.2 t-20 -60.8 134.62 57.27 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.716 1.206 . . . . 0.0 111.747 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -99.72 5.92 45.62 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.225 1.41 . . . . 0.0 113.691 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 7.0 t -134.91 -163.38 1.37 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.752 2.021 . . . . 0.0 110.96 178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.0 pt -138.65 160.03 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.495 1.518 . . . . 0.0 111.319 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 71.2 m -138.12 137.98 22.18 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 124.299 1.04 . . . . 0.0 111.547 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.11 -22.61 40.89 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 123.11 2.54 . . . . 0.0 113.033 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 29.9 p -56.11 -32.46 64.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.301 1.04 . . . . 0.0 112.896 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.34 -33.36 72.29 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.839 1.256 . . . . 0.0 112.915 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.38 -45.17 80.98 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.364 1.066 . . . . 0.0 110.033 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -66.63 -41.49 88.23 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.102 0.561 . . . . 0.0 111.443 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.1 t0 -66.08 -38.36 88.08 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.629 -0.669 . . . . 0.0 111.885 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.57 -36.78 73.81 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.65 -1.281 . . . . 0.0 110.775 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 33.1 mt -61.66 -48.78 79.27 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.07 0.85 . . . . 0.0 110.723 173.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -63.49 -33.65 76.05 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.185 0.902 . . . . 0.0 112.337 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 87.1 m -66.67 -46.93 74.08 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.303 1.041 . . . . 0.0 110.647 175.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 55.6 tp -60.66 -39.86 89.95 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.501 1.12 . . . . 0.0 111.552 176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -73.66 12.7 0.59 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.845 1.658 . . . . 0.0 115.456 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 33.3 m -123.9 157.64 62.64 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 125.972 1.709 . . . . 0.0 110.862 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -63.12 150.86 87.43 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.999 2.466 . . . . 0.0 113.677 -176.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 17.7 t -64.33 129.3 39.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.362 1.065 . . . . 0.0 112.25 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 83.8 p -161.96 160.94 21.99 Favored Pre-proline 0 C--O 1.239 0.527 0 C-N-CA 125.923 1.689 . . . . 0.0 110.573 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.54 -35.33 76.27 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.626 2.217 . . . . 0.0 111.727 173.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 28.2 mp0 -66.4 -43.29 86.22 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.937 1.295 . . . . 0.0 111.182 177.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.14 -48.98 77.71 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.543 0.737 . . . . 0.0 110.643 176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.29 -45.29 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.927 0.891 . . . . 0.0 111.204 176.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -62.44 -40.29 96.1 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.617 -0.677 . . . . 0.0 111.641 176.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -58.49 -45.43 88.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.955 0.798 . . . . 0.0 111.689 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 86.3 t -55.81 -51.92 54.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 123.422 0.689 . . . . 0.0 110.592 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.49 -42.61 99.62 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.431 0.693 . . . . 0.0 111.363 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -58.35 -48.13 81.55 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.406 1.003 . . . . 0.0 111.636 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 61.1 mt -63.71 -48.66 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.133 0.973 . . . . 0.0 111.422 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.98 -43.29 93.09 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.263 0.625 . . . . 0.0 111.896 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -67.77 -18.47 64.88 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.296 1.039 . . . . 0.0 112.877 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 70.0 m -82.88 -4.47 58.18 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.331 1.052 . . . . 0.0 112.003 173.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -139.3 56.17 8.36 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 126.571 1.948 . . . . 0.0 110.933 178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -49.22 -37.33 39.26 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.936 3.091 . . . . 0.0 115.901 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -51.35 -50.41 59.55 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.51 1.524 . . . . 0.0 113.25 -177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.74 -27.26 29.05 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -47.2 16.6 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.994 1.318 . . . . 0.0 111.906 -179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' 2102 ' ' ILE . . . -63.58 -33.03 74.7 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.119 0.968 . . . . 0.0 112.426 178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -62.76 -36.47 83.16 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.128 0.571 . . . . 0.0 111.95 176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 75.6 t80 -76.59 -53.01 8.63 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.088 0.955 . . . . 0.0 113.322 177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . 0.425 HD13 ' O ' ' A' 2102 ' ' ILE . 0.2 OUTLIER -56.45 -43.01 76.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.239 0.616 . . . . 0.0 112.546 -175.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -61.4 -15.1 33.4 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -97.78 -44.8 6.58 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.9 0.88 . . . . 0.0 109.763 173.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -59.55 -34.28 72.48 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.44 1.096 . . . . 0.0 113.102 178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 8.9 t -56.62 -28.34 60.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.142 0.977 . . . . 0.0 113.364 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -68.77 -17.23 64.0 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 121.018 -1.051 . . . . 0.0 113.636 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 22.5 tptm -112.84 -34.97 5.61 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.0 2.12 . . . . 0.0 111.971 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 6.8 t80 -80.92 69.24 7.45 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.525 2.33 . . . . 0.0 111.897 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 46.7 t -125.83 126.28 69.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 112.084 -2.326 . . . . 0.0 109.669 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -130.43 163.71 26.35 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.991 1.716 . . . . 0.0 111.786 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -140.44 164.46 30.07 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.937 1.295 . . . . 0.0 112.252 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -109.14 142.5 25.72 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 126.369 1.867 . . . . 0.0 110.086 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -63.63 148.23 92.4 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.713 2.275 . . . . 0.0 111.549 177.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -73.42 -15.86 78.97 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 115.954 1.141 . . . . 0.0 115.954 -177.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 47.8 ttp -66.67 137.29 56.59 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.564 1.182 . . . . 0.0 112.805 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 . . . . . 0 CA--C 1.541 0.598 0 C-N-CA 126.115 1.766 . . . . 0.0 110.8 178.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo . . . . . 0 CA--C 1.538 0.68 0 N-CA-C 113.98 0.723 . . . . 0.0 113.98 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.79 156.76 41.92 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.331 1.452 . . . . 0.0 111.695 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 55.9 m -77.4 137.55 38.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.369 0.604 . . . . 0.0 110.54 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 -76.95 -3.49 39.1 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -91.37 9.74 30.38 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.362 1.465 . . . . 0.0 112.824 178.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.5 p -98.96 -169.49 1.78 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.191 1.797 . . . . 0.0 113.557 -176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -46.75 -27.36 1.17 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.315 1.846 . . . . 0.0 115.656 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 35.4 t -57.73 -32.56 67.55 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.554 0.742 . . . . 0.0 112.615 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -82.68 -24.53 33.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.337 1.055 . . . . 0.0 113.246 178.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.2 -36.22 82.91 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.33 -0.856 . . . . 0.0 110.35 175.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -63.72 -31.91 73.24 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.826 -0.546 . . . . 0.0 112.222 174.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.26 -35.66 41.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.351 1.46 . . . . 0.0 112.133 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.0 mt -73.54 -35.45 65.54 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.881 0.872 . . . . 0.0 112.742 177.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 14.2 mt -45.57 -54.9 13.71 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.13 3.92 1.81 Allowed 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 124.022 3.148 . . . . 0.0 114.724 179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -132.27 -19.91 2.44 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 35.3 p30 -85.84 -0.78 56.23 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.175 0.99 . . . . 0.0 113.127 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -135.31 157.33 47.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.42 1.488 . . . . 0.0 111.412 178.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 m -139.83 -13.12 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.69 161.25 38.56 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.658 1.183 . . . . 0.0 113.681 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 78.2 p -145.96 149.4 38.97 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 125.709 1.603 . . . . 0.0 110.695 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -81.65 -24.07 4.47 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 122.695 2.263 . . . . 0.0 115.215 -175.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 97.7 mt -146.53 154.96 49.3 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 124.604 1.162 . . . . 0.0 113.543 -174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.07 -178.37 4.53 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.7 2.933 . . . . 0.0 110.497 172.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 48.2 m -54.32 -19.9 6.25 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -61.45 -13.2 18.6 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.96 -26.02 68.12 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.748 1.619 . . . . 0.0 113.264 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 47.6 mtp -79.2 20.17 0.53 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.532 1.533 . . . . 0.0 114.361 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -57.57 -36.47 71.74 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.503 1.521 . . . . 0.0 114.655 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -142.94 22.61 1.92 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.797 1.239 . . . . 0.0 112.977 -178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -144.54 147.83 33.69 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.613 1.565 . . . . 0.0 110.889 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.3 tpp -149.49 164.26 35.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.188 1.395 . . . . 0.0 111.268 -177.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -50.93 144.02 9.29 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.726 1.211 . . . . 0.0 111.874 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 24.2 p -118.63 159.37 44.35 Favored Pre-proline 0 N--CA 1.472 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 112.973 -176.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -62.24 -24.9 76.43 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 122.417 2.078 . . . . 0.0 113.101 178.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -63.52 -32.0 73.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.526 1.13 . . . . 0.0 111.919 176.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -72.18 -28.49 63.24 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.436 1.095 . . . . 0.0 111.684 175.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 13.5 mt -77.96 -46.37 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.271 1.028 . . . . 0.0 111.316 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.67 -3.63 12.72 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -82.75 -59.85 2.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.711 1.604 . . . . 0.0 112.827 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -26.7 65.32 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 115.516 1.672 . . . . 0.0 115.516 -172.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.84 -10.07 59.43 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 -179.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.5 t -57.63 -17.32 13.93 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -66.95 -0.39 3.09 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.103 1.761 . . . . 0.0 114.948 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -49.8 125.08 16.93 Favored Pre-proline 0 CA--C 1.556 1.209 0 C-N-CA 125.536 1.534 . . . . 0.0 112.481 178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -51.85 -45.19 39.98 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.281 3.321 . . . . 0.0 116.227 -177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 148.03 172.04 17.61 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 124.084 0.849 . . . . 0.0 114.875 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.52 -39.04 86.78 Favored 'Trans proline' 0 CA--C 1.543 0.932 0 C-N-CA 124.144 3.229 . . . . 0.0 114.6 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 N--CA 1.477 0.913 0 C-N-CA 128.286 2.634 . . . . 0.0 115.273 -179.266 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo . . . . . 0 CA--C 1.54 0.81 0 N-CA-C 114.783 1.032 . . . . 0.0 114.783 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -145.12 137.42 25.92 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.059 1.744 . . . . 0.0 109.755 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -140.18 159.19 42.73 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.187 1.395 . . . . 0.0 111.877 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 82.5 p -157.35 -177.17 6.4 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.448 1.499 . . . . 0.0 112.079 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 43.5 pt -140.0 162.0 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.231 1.812 . . . . 0.0 109.679 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 70.3 m -128.24 138.46 33.05 Favored Pre-proline 0 N--CA 1.476 0.85 0 C-N-CA 124.146 0.978 . . . . 0.0 111.329 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.52 -24.66 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.139 2.559 . . . . 0.0 113.925 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 26.9 p -63.03 -34.04 76.71 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.913 1.285 . . . . 0.0 113.426 178.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.52 80.15 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.532 0.733 . . . . 0.0 111.537 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 1.1 mm? -70.5 -33.18 70.92 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.737 0.815 . . . . 0.0 111.811 177.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -69.35 -40.56 77.44 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.338 -0.851 . . . . 0.0 110.394 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 11.1 t70 -66.71 -35.42 80.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 111.188 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.29 -50.5 73.4 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.409 1.083 . . . . 0.0 109.532 174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 3.4 mp -57.37 -46.86 82.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.901 0.88 . . . . 0.0 113.048 176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -66.08 -30.33 70.82 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.385 0.993 . . . . 0.0 112.521 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 58.2 m -70.31 -44.39 68.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.913 0.885 . . . . 0.0 110.376 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 49.7 tp -62.45 -37.47 86.0 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.395 1.878 . . . . 0.0 113.367 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -62.87 -24.17 67.68 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 114.624 1.342 . . . . 0.0 114.624 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.6 m -80.44 156.48 73.48 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.3 1.04 . . . . 0.0 111.021 175.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -62.37 147.44 94.92 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.843 2.362 . . . . 0.0 112.819 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 12.2 t -72.65 145.33 47.35 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 93.6 p -170.61 161.15 6.02 Favored Pre-proline 0 N--CA 1.47 0.531 0 C-N-CA 128.426 2.69 . . . . 0.0 108.888 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.68 -33.53 80.26 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.209 1.94 . . . . 0.0 111.805 174.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.35 -42.52 83.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.856 1.262 . . . . 0.0 111.191 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -64.63 -43.22 94.38 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.523 0.729 . . . . 0.0 110.551 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -61.58 -41.64 97.7 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 124.032 0.933 . . . . 0.0 111.43 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -56.0 -37.91 69.76 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.389 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -64.58 -43.63 93.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.663 1.12 . . . . 0.0 111.659 175.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 46.2 t -62.39 -43.57 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.234 0.925 . . . . 0.0 110.346 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.52 -41.25 94.02 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.778 0.831 . . . . 0.0 110.927 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -63.3 -45.89 89.27 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.155 0.889 . . . . 0.0 111.139 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.0 mt -60.04 -45.91 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.1 1.36 . . . . 0.0 110.448 178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.62 -43.31 80.73 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.986 0.914 . . . . 0.0 111.894 178.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -65.37 -16.79 63.96 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 119.904 1.229 . . . . 0.0 113.41 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 50.2 m -87.35 -8.66 56.4 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.844 1.258 . . . . 0.0 111.987 173.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.84 54.67 5.79 Favored Pre-proline 0 CA--C 1.558 1.252 0 C-N-CA 128.117 2.567 . . . . 0.0 109.602 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -59.94 -23.14 71.69 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.213 2.608 . . . . 0.0 115.836 -172.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -48.74 -47.07 41.75 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.8 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.8 -31.34 25.94 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 11.1 ptm -78.9 -37.36 40.18 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.617 1.099 . . . . 0.0 112.949 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -66.68 -37.25 84.36 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.823 0.738 . . . . 0.0 112.343 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.0 90.63 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 122.024 -0.423 . . . . 0.0 110.94 175.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 81.3 t80 -68.63 -51.47 41.91 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.876 1.27 . . . . 0.0 113.498 179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -37.21 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-N 119.595 1.089 . . . . 0.0 112.757 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -55.49 -24.93 34.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.703 1.201 . . . . 0.0 113.218 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -98.9 -46.04 5.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.035 1.334 . . . . 0.0 111.109 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -32.96 64.87 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.674 1.189 . . . . 0.0 112.565 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 14.4 t -51.98 -29.77 22.06 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.316 1.046 . . . . 0.0 112.968 176.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -64.34 -17.66 63.9 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.961 1.304 . . . . 0.0 113.862 175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -120.49 -10.44 9.26 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 127.325 2.25 . . . . 0.0 113.425 178.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -78.39 45.82 0.59 Allowed 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.1 2.16 . . . . 0.0 110.344 174.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 7.5 p -130.35 26.77 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 128.54 2.736 . . . . 0.0 112.26 -174.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -57.84 -13.9 5.13 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 14.2 m120 -82.07 58.82 4.12 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.353 1.461 . . . . 0.0 113.402 -177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -129.63 132.88 24.49 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 125.646 1.578 . . . . 0.0 109.9 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.44 -31.83 18.92 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 124.605 3.537 . . . . 0.0 117.549 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -90.53 -9.95 64.12 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.467 0.947 . . . . 0.0 115.467 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 21.7 ttt -88.41 55.62 3.48 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.916 1.358 . . . . 0.0 111.894 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 . . . . . 0 CA--C 1.542 0.657 0 C-N-CA 125.111 1.364 . . . . 0.0 112.806 -179.158 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 CA--C 1.54 0.811 0 N-CA-C 114.143 0.786 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -141.09 170.66 15.32 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.829 1.652 . . . . 0.0 113.781 -178.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 49.8 m -142.29 166.95 23.27 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.95 1.7 . . . . 0.0 111.219 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -74.51 35.12 0.1 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.507 1.523 . . . . 0.0 113.699 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -137.78 14.76 2.91 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 128.31 2.644 . . . . 0.0 110.903 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -123.51 -171.54 2.33 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.559 1.944 . . . . 0.0 111.137 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -45.58 -35.67 4.16 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.271 1.428 . . . . 0.0 114.696 179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.3 t -62.06 -29.95 70.65 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.304 1.042 . . . . 0.0 113.267 177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -83.31 -25.58 31.38 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.977 -1.077 . . . . 0.0 112.222 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -65.81 -28.38 68.96 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.393 -0.817 . . . . 0.0 111.453 177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 19.5 m95 -67.29 -41.43 85.43 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.621 0.646 . . . . 0.0 110.297 171.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -67.61 -28.61 67.89 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.169 1.787 . . . . 0.0 113.584 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.0 mt -60.88 -20.39 61.86 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.834 0.854 . . . . 0.0 112.343 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.0 mt -106.72 85.06 1.68 Allowed Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 126.795 2.038 . . . . 0.0 109.166 175.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -61.49 -16.04 45.07 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 124.27 3.314 . . . . 0.0 115.205 -175.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.04 -20.44 63.96 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 174.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -49.25 -17.14 0.21 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 117.408 2.373 . . . . 0.0 117.408 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -129.3 8.34 5.5 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.205 1.402 . . . . 0.0 114.469 -177.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.66 -9.94 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 125.007 1.323 . . . . 0.0 113.973 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' B' ' 32' ' ' LEU . 2.6 pp -60.19 168.17 2.09 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.612 2.365 . . . . 0.0 114.905 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -62.48 157.75 54.02 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.617 1.967 . . . . 0.0 114.309 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -68.83 3.38 2.37 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 124.347 3.365 . . . . 0.0 116.848 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.8 pp -139.36 154.32 71.71 Favored Pre-proline 0 CA--C 1.554 1.11 0 C-N-CA 125.131 1.373 . . . . 0.0 112.631 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -69.81 173.32 11.19 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 124.118 3.212 . . . . 0.0 115.346 -176.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 47.3 t -61.75 151.21 34.63 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.939 1.695 . . . . 0.0 113.042 178.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -99.31 -3.43 34.05 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.1 1.36 . . . . 0.0 113.477 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.33 -17.32 63.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.349 1.46 . . . . 0.0 114.001 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 37.7 mtp -83.81 17.12 2.44 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.597 1.559 . . . . 0.0 113.633 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -55.9 -30.77 62.11 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.015 1.726 . . . . 0.0 115.369 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -143.04 19.18 1.95 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.47 1.108 . . . . 0.0 113.615 -178.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.04 149.43 30.31 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.436 1.494 . . . . 0.0 111.775 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 29.0 tpp -151.26 154.41 36.73 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.832 1.253 . . . . 0.0 112.322 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mp -54.84 152.26 7.52 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.9 m -128.47 168.9 14.12 Favored Pre-proline 0 CA--C 1.538 0.51 0 C-N-CA 127.418 2.287 . . . . 0.0 111.277 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -58.05 -27.73 80.68 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 122.321 2.014 . . . . 0.0 112.459 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -58.13 -34.0 69.78 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.734 1.613 . . . . 0.0 112.732 174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.15 -38.97 66.04 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.389 1.076 . . . . 0.0 111.367 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 23.2 mt -72.69 -42.74 62.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.727 1.211 . . . . 0.0 111.24 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.51 -7.93 52.51 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 120.972 -1.08 . . . . 0.0 113.499 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.01 -53.32 5.91 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.612 1.165 . . . . 0.0 113.493 -179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -22.01 65.61 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 116.122 1.897 . . . . 0.0 116.122 -173.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.37 48.06 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 1.3 t -59.3 -22.89 61.9 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -72.41 -10.75 60.18 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -58.29 123.8 67.64 Favored Pre-proline 0 CA--C 1.556 1.173 0 C-N-CA 124.48 1.112 . . . . 0.0 111.22 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.37 -6.15 18.51 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 124.007 3.138 . . . . 0.0 115.416 -177.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 54.53 59.3 10.37 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.58 1.562 . . . . 0.0 115.322 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.94 174.96 2.67 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.836 3.024 . . . . 0.0 114.223 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.241 0.645 0 C-N-CA 126.635 1.974 . . . . 0.0 112.017 178.519 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo . . . . . 0 CA--C 1.545 1.07 0 N-CA-C 113.297 0.46 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -66.4 -9.99 39.2 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -132.91 155.15 49.58 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.731 1.612 . . . . 0.0 111.698 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 35.5 m -63.35 158.77 19.61 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.465 1.506 . . . . 0.0 112.535 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 49.2 pt -66.17 162.36 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.743 1.217 . . . . 0.0 111.839 176.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 68.4 m -127.73 139.52 35.53 Favored Pre-proline 0 N--CA 1.476 0.832 0 C-N-CA 124.101 0.961 . . . . 0.0 111.773 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.21 -24.33 44.24 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.047 2.498 . . . . 0.0 113.071 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 20.9 p -55.81 -35.36 66.24 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.241 1.017 . . . . 0.0 112.638 176.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -60.38 -29.67 69.09 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.344 1.057 . . . . 0.0 113.055 177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.44 -41.64 76.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.819 0.847 . . . . 0.0 110.016 178.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -68.68 -39.98 80.33 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.854 -0.529 . . . . 0.0 110.645 175.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -65.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.563 -0.71 . . . . 0.0 112.173 176.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 6.7 tt -63.94 -49.33 72.98 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.069 -1.019 . . . . 0.0 109.254 173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 74.9 mt -59.98 -45.83 91.43 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -61.97 -29.79 70.49 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.072 0.851 . . . . 0.0 112.021 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 60.3 m -78.65 -42.38 28.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.623 1.169 . . . . 0.0 111.043 176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 37.1 tp -57.68 -35.72 70.97 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.676 1.19 . . . . 0.0 111.718 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -62.82 -16.06 56.76 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 66.4 m -66.56 162.75 47.46 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.656 1.182 . . . . 0.0 111.885 176.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -67.31 161.34 43.53 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.296 1.997 . . . . 0.0 111.743 176.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 47.0 m -59.15 102.75 0.14 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.147 1.379 . . . . 0.0 110.874 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 82.2 p -159.27 156.98 26.92 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -174.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.24 -17.9 55.01 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.644 2.23 . . . . 0.0 112.489 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -64.5 -49.11 72.65 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.056 -1.027 . . . . 0.0 110.972 177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -67.09 -35.72 80.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.804 0.729 . . . . 0.0 111.906 176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -59.27 -50.5 73.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.033 1.333 . . . . 0.0 109.855 177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -65.4 -42.67 92.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.599 0.76 . . . . 0.0 111.871 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.28 -42.82 99.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 119.789 1.177 . . . . 0.0 113.27 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 55.6 t -61.73 -42.07 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 120.113 1.324 . . . . 0.0 110.022 175.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.19 -38.99 91.21 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.584 0.629 . . . . 0.0 111.634 175.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.88 -45.9 90.37 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.0 0.818 . . . . 0.0 110.885 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.74 -43.22 98.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.145 1.378 . . . . 0.0 110.62 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 84.5 mt -69.83 -32.39 70.79 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.019 0.928 . . . . 0.0 112.794 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -61.92 -24.37 66.93 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.729 1.149 . . . . 0.0 112.542 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 71.2 m -85.79 -3.81 59.0 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.697 1.199 . . . . 0.0 112.503 174.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -138.55 54.8 7.27 Favored Pre-proline 0 CA--C 1.558 1.275 0 C-N-CA 127.069 2.148 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.46 -32.6 74.09 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.092 2.528 . . . . 0.0 116.315 -175.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -48.98 -49.12 42.17 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.649 1.579 . . . . 0.0 113.629 -176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 2.1 pp -83.54 -31.21 26.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 50.2 ttp -70.85 -46.23 63.05 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.419 0.687 . . . . 0.0 111.678 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.85 98.31 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.145 0.978 . . . . 0.0 112.934 -178.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -63.18 -38.58 91.75 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.027 0.531 . . . . 0.0 111.441 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 8.2 t80 -69.64 -52.79 22.65 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.809 1.244 . . . . 0.0 112.822 177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.01 -35.03 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 118.769 0.713 . . . . 0.0 112.255 -178.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -55.11 -30.33 59.51 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 119.06 0.846 . . . . 0.0 112.935 177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -87.75 -42.11 12.84 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.509 0.724 . . . . 0.0 110.859 174.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -64.33 -33.1 75.06 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 6.3 t -59.03 -31.68 69.05 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 119.096 0.862 . . . . 0.0 112.668 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -66.43 -9.91 38.7 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 124.378 1.071 . . . . 0.0 113.641 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -118.57 8.05 11.92 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 127.521 2.328 . . . . 0.0 112.378 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.94 108.45 12.42 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.3 1.84 . . . . 0.0 110.28 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 9.3 p -147.35 124.43 3.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.84 2.056 . . . . 0.0 110.645 -177.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -128.34 12.35 6.49 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.932 1.693 . . . . 0.0 114.393 -176.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 15.9 p30 -129.05 167.46 17.48 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.128 1.771 . . . . 0.0 112.991 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -65.63 134.37 95.37 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 125.023 1.329 . . . . 0.0 112.585 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -73.33 -23.84 17.24 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.098 2.532 . . . . 0.0 113.627 178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -179.43 31.79 0.06 OUTLIER Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.784 1.183 . . . . 0.0 114.301 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 96.7 mmm -130.19 29.19 4.93 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.016 1.726 . . . . 0.0 112.432 -176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 125.274 1.43 . . . . 0.0 113.198 -179.327 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.541 0.828 0 N-CA-C 114.073 0.759 . . . . 0.0 114.073 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.59 178.86 6.92 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.366 1.867 . . . . 0.0 112.323 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 59.5 m -133.38 155.92 48.59 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.809 1.244 . . . . 0.0 112.404 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -65.78 17.07 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 127.73 2.412 . . . . 0.0 115.252 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -127.95 -2.19 5.87 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.221 1.809 . . . . 0.0 112.954 -178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -74.87 172.68 11.8 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.721 1.208 . . . . 0.0 112.369 178.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -37.25 -44.39 0.58 Allowed 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 127.164 2.186 . . . . 0.0 116.061 -177.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.1 t -56.61 -34.7 67.5 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.272 1.029 . . . . 0.0 113.539 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.96 -25.12 18.15 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 123.878 0.871 . . . . 0.0 112.112 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -63.15 -35.08 79.09 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.68 0.673 . . . . 0.0 110.499 173.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 21.4 m95 -58.08 -29.52 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.214 0.915 . . . . 0.0 112.851 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -81.66 -18.8 43.31 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.37 1.468 . . . . 0.0 114.337 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 63.7 mt -82.09 -37.84 25.74 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.28 -43.82 98.6 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 116.868 2.173 . . . . 0.0 116.868 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -53.39 -14.26 4.37 Favored 'Trans proline' 0 CA--C 1.542 0.893 1 C-N-CA 125.33 4.02 . . . . 0.0 117.523 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -103.01 -0.13 31.29 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 120.28 1.4 . . . . 0.0 114.207 178.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.93 26.87 10.18 Favored 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.781 1.232 . . . . 0.0 111.022 174.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -146.5 147.64 31.39 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.275 2.63 . . . . 0.0 109.015 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -130.9 -7.41 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 125.271 1.428 . . . . 0.0 113.712 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 33.4 mt -95.28 172.42 8.12 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.606 2.362 . . . . 0.0 111.419 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 73.4 p -63.25 153.92 80.1 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 121.615 -0.678 . . . . 0.0 111.341 175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -75.07 -29.17 8.4 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.213 1.942 . . . . 0.0 113.66 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 82.7 mt -127.26 58.57 31.35 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 124.884 1.274 . . . . 0.0 113.997 -174.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.34 -22.95 21.2 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.244 2.629 . . . . 0.0 113.749 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.0 t -150.98 178.42 9.19 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.136 1.374 . . . . 0.0 111.879 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -75.68 76.43 2.66 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.263 1.825 . . . . 0.0 112.396 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.99 -15.81 2.31 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mmt -123.57 16.7 9.61 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 124.905 1.282 . . . . 0.0 113.095 -176.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.32 -49.3 77.55 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -175.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -131.63 14.81 4.92 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.524 1.53 . . . . 0.0 114.873 -174.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 pp -139.13 152.85 47.8 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.988 1.715 . . . . 0.0 110.197 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -150.12 142.01 23.82 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.816 0.846 . . . . 0.0 112.449 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.04 159.37 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.521 0.728 . . . . 0.0 111.919 178.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 26.3 t -119.37 151.84 51.85 Favored Pre-proline 0 N--CA 1.47 0.555 0 C-N-CA 126.228 1.811 . . . . 0.0 110.565 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -54.05 -24.91 34.5 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 123.023 2.482 . . . . 0.0 113.547 176.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.56 -35.19 71.97 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 112.809 175.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -73.77 -33.6 64.33 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.119 0.968 . . . . 0.0 111.486 176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 10.0 mt -73.53 -40.67 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 124.957 1.303 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.13 -4.77 51.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.873 -1.142 . . . . 0.0 113.242 177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.87 -54.54 5.02 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.588 1.155 . . . . 0.0 112.236 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -19.68 66.01 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 -172.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.18 -9.66 47.35 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.87 -17.36 50.92 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 -176.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -57.08 128.8 38.8 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 -176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -152.33 137.45 10.97 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 126.107 1.763 . . . . 0.0 110.163 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -73.1 -12.35 25.7 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.65 2.9 . . . . 0.0 116.188 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.64 -177.53 43.65 Favored Glycine 0 CA--C 1.544 1.891 0 CA-C-N 119.807 1.185 . . . . 0.0 114.552 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -74.88 -11.38 21.7 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 124.39 3.394 . . . . 0.0 115.268 -177.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 125.034 1.334 . . . . 0.0 112.223 -179.137 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2059 ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo . . . . . 0 CA--C 1.54 0.79 0 N-CA-C 114.927 1.087 . . . . 0.0 114.927 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2060 ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -119.82 153.07 36.31 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.744 1.617 . . . . 0.0 111.142 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2061 ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -152.49 153.31 33.23 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.636 1.574 . . . . 0.0 110.864 -177.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2062 ' ' SER . . . . . . . . . . . . . 43.5 m -121.16 15.92 11.51 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2063 ' ' ILE . . . . . . . . . . . . . 2.6 pp -144.44 160.75 14.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 127.311 2.244 . . . . 0.0 108.342 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2064 ' ' SER . . . . . . . . . . . . . 4.6 m -155.2 148.76 18.64 Favored Pre-proline 0 N--CA 1.482 1.158 0 CA-C-N 119.726 1.148 . . . . 0.0 112.555 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2065 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.84 -21.34 33.28 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.518 2.812 . . . . 0.0 113.947 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2066 ' ' SER . . . . . . . . . . . . . 24.1 p -62.98 -34.48 77.62 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.124 -0.985 . . . . 0.0 112.481 177.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2067 ' ' ALA . . . . . . . . . . . . . . . -61.72 -32.17 72.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.07 0.948 . . . . 0.0 112.583 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2068 ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.9 -41.51 87.05 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.287 1.035 . . . . 0.0 110.301 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2069 ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.63 85.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.277 0.631 . . . . 0.0 111.08 177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2070 ' ' ASP . . . . . . . . . . . . . 32.3 t0 -66.82 -36.59 82.72 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.01 0.924 . . . . 0.0 110.835 176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2071 ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.29 -48.87 76.28 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.137 -0.977 . . . . 0.0 109.355 173.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2072 ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.82 -44.63 82.23 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.644 -0.694 . . . . 0.0 112.253 177.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2073 ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -63.87 -36.12 82.89 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 119.855 1.207 . . . . 0.0 111.94 176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2074 ' ' THR . . . . . . . . . . . . . 56.7 m -70.4 -33.43 71.36 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.664 1.186 . . . . 0.0 111.707 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2075 ' ' LEU . . . . . . . . . . . . . 2.8 tt -60.19 -44.48 95.06 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 110.796 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2076 ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.23 -24.76 67.78 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2077 ' ' SER . . . . . . . . . . . . . 68.5 m -60.51 152.11 67.21 Favored Pre-proline 0 N--CA 1.473 0.691 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2078 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.28 153.31 66.62 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.799 2.333 . . . . 0.0 111.222 176.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2079 ' ' SER . . . . . . . . . . . . . 20.1 m -55.6 113.89 1.64 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.271 1.428 . . . . 0.0 112.726 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2080 ' ' SER . . . . . . . . . . . . . 97.6 p -160.84 158.33 24.31 Favored Pre-proline 0 N--CA 1.472 0.67 0 C-N-CA 124.758 1.223 . . . . 0.0 112.444 -178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2081 ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -64.16 -24.42 65.97 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.051 1.834 . . . . 0.0 111.914 175.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2082 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -65.37 -39.22 92.01 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.794 0.837 . . . . 0.0 110.54 174.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2083 ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -62.84 -46.59 87.19 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 121.797 -0.565 . . . . 0.0 109.894 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2084 ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -58.65 -44.21 90.05 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.244 0.618 . . . . 0.0 111.101 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2085 ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -63.34 -40.55 97.6 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.708 -0.663 . . . . 0.0 111.39 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2086 ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -66.12 -39.9 90.25 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.95 1.25 . . . . 0.0 112.045 176.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2087 ' ' VAL . . . . . . . . . . . . . 66.6 t -59.3 -47.12 91.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 119.111 0.868 . . . . 0.0 109.303 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2088 ' ' LEU . . . . . . . . . . . . . 33.2 mt -59.8 -48.38 81.94 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.319 0.648 . . . . 0.0 111.19 174.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2089 ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -57.2 -48.27 79.21 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.551 1.069 . . . . 0.0 112.053 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2090 ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.7 -49.35 84.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.968 1.307 . . . . 0.0 110.875 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2091 ' ' LEU . . . . . . . . . . . . . 95.7 mt -69.86 -43.68 71.38 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2092 ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -67.43 -17.05 64.56 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.78 1.232 . . . . 0.0 114.211 178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2093 ' ' SER . . . . . . . . . . . . . 12.2 t -72.09 -26.27 62.08 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.785 0.834 . . . . 0.0 111.631 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2094 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -150.75 68.65 8.35 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 127.623 2.369 . . . . 0.0 109.173 -178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2095 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -68.07 -8.02 21.52 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.489 2.792 . . . . 0.0 115.887 -173.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2096 ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -47.94 -58.64 4.14 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.129 1.771 . . . . 0.0 111.367 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2097 ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.77 -29.65 70.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.77 1.628 . . . . 0.0 113.94 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2098 ' ' MET . . . . . . . . . . . . . 46.7 ttp -76.52 -46.17 27.66 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.553 -0.717 . . . . 0.0 111.202 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2099 ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.9 78.62 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.445 1.098 . . . . 0.0 111.565 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2100 ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.25 96.82 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.624 0.77 . . . . 0.0 111.554 173.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2101 ' ' PHE . . . . . . . . . . . . . 33.5 t80 -70.84 -50.77 31.77 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.698 1.199 . . . . 0.0 113.304 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2102 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -33.63 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 120.926 -1.109 . . . . 0.0 113.594 -176.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2103 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -56.54 -29.8 62.34 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 177.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2104 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -94.65 -31.59 13.77 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 118.632 0.651 . . . . 0.0 112.136 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2105 ' ' ARG . . . . . . . . . . . . . 34.0 tpt85 -67.34 -37.55 83.43 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.131 0.972 . . . . 0.0 113.126 177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2106 ' ' THR . . . . . . . . . . . . . 7.7 t -56.3 -34.86 66.89 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.38 1.072 . . . . 0.0 112.866 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2107 ' ' ALA . . . . . . . . . . . . . . . -63.78 -16.95 62.51 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.445 1.098 . . . . 0.0 113.674 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2108 ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -108.39 -10.26 15.33 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.441 1.896 . . . . 0.0 112.414 178.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2109 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.75 32.19 0.42 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 126.601 1.96 . . . . 0.0 111.895 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2110 ' ' VAL . . . . . . . . . . . . . 8.7 p -122.1 18.53 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 128.358 2.663 . . . . 0.0 111.604 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2111 ' ' ALA . . . . . . . . . . . . . . . -54.44 141.76 29.59 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.338 1.455 . . . . 0.0 113.235 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2112 ' ' ASN . . . . . . . . . . . . . 6.9 p30 -145.66 174.09 11.49 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.435 1.894 . . . . 0.0 112.236 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2113 ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -59.16 155.2 35.99 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 125.328 1.451 . . . . 0.0 114.136 -176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2114 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -51.12 152.74 10.29 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 124.395 3.397 . . . . 0.0 114.457 177.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2115 ' ' GLY . . . . . . . . . . . . . . . -121.3 26.26 6.74 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.021 1.296 . . . . 0.0 115.649 -177.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2116 ' ' MET . . . . . . . . . . . . . 6.0 tpt -145.96 141.45 27.74 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.475 1.11 . . . . 0.0 111.536 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2117 ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 N--CA 1.473 0.715 0 C-N-CA 126.219 1.808 . . . . 0.0 111.248 -179.868 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo . . . . . 0 CA--C 1.54 0.783 0 N-CA-C 114.59 0.958 . . . . 0.0 114.59 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.04 163.42 18.35 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.556 1.942 . . . . 0.0 112.62 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 15.7 m -110.36 174.78 5.7 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.549 1.54 . . . . 0.0 114.531 -173.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.82 32.23 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 127.337 2.255 . . . . 0.0 114.173 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -130.69 10.34 5.12 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 127.41 2.284 . . . . 0.0 110.8 177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 48.3 p -112.63 -174.92 2.56 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.268 2.227 . . . . 0.0 110.718 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -30.87 -46.08 0.08 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.768 2.427 . . . . 0.0 116.944 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 71.4 p -59.4 -34.5 72.52 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -87.73 -22.38 24.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.887 0.875 . . . . 0.0 111.844 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 47.1 mt -61.81 -36.9 82.48 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.395 -0.815 . . . . 0.0 110.224 175.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -62.01 -27.06 68.6 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 176.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -91.82 -30.96 15.92 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.127 1.771 . . . . 0.0 112.749 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 39.4 mt -72.12 -37.21 69.54 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.044 1.338 . . . . 0.0 114.302 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 94.3 mt -72.23 113.13 17.92 Favored Pre-proline 0 CA--C 1.55 0.942 0 C-N-CA 123.803 0.841 . . . . 0.0 110.983 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -74.05 -35.64 4.02 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.585 2.19 . . . . 0.0 114.074 -176.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -79.85 94.82 5.89 Favored 'General case' 0 C--N 1.332 -0.174 0 O-C-N 121.01 -1.057 . . . . 0.0 112.817 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 100.82 24.82 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.878 1 C-N-CA 131.752 4.021 . . . . 0.0 110.588 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -45.28 -44.03 11.06 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 116.749 2.129 . . . . 0.0 116.749 -175.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 m -141.84 -3.95 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 126.334 1.854 . . . . 0.0 114.367 -178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 166.23 23.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.904 2.481 . . . . 0.0 111.759 -177.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -154.31 110.8 2.43 Favored Pre-proline 0 N--CA 1.471 0.611 0 C-N-CA 123.507 0.723 . . . . 0.0 111.194 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -85.19 0.56 8.75 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 C-N-CA 123.804 3.003 . . . . 0.0 113.859 -179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 3.3 pp -141.45 138.44 17.52 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -175.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.85 -177.66 3.89 Favored 'Trans proline' 0 CA--C 1.547 1.149 0 C-N-CA 123.573 2.848 . . . . 0.0 111.452 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 15.2 m -59.61 27.15 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 129.307 3.043 . . . . 0.0 118.11 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -58.38 -18.92 31.49 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 115.752 1.76 . . . . 0.0 115.752 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.63 -6.75 58.78 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.564 1.946 . . . . 0.0 113.711 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 27.7 mtt -112.2 24.46 12.56 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.424 1.489 . . . . 0.0 113.88 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.37 -28.0 69.47 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -140.91 17.48 2.3 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.155 1.382 . . . . 0.0 113.364 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -151.97 150.43 30.01 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.09 1.356 . . . . 0.0 113.038 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 20.7 tpp -151.4 159.76 44.08 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.65 1.58 . . . . 0.0 111.046 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 40.7 mt -72.03 162.02 30.07 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.246 1.018 . . . . 0.0 112.694 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -131.13 164.69 40.52 Favored Pre-proline 0 N--CA 1.472 0.65 0 C-N-CA 127.302 2.241 . . . . 0.0 110.298 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.94 -25.99 46.8 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.737 2.291 . . . . 0.0 113.966 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -58.27 -35.6 72.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.07 1.348 . . . . 0.0 112.549 174.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -73.52 -28.86 62.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.663 1.185 . . . . 0.0 111.775 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 7.5 mt -83.17 -41.43 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.666 1.187 . . . . 0.0 111.364 -178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -76.34 -3.0 34.46 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.071 -1.018 . . . . 0.0 112.893 177.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.48 -59.35 2.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.759 1.624 . . . . 0.0 111.896 178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -66.8 -20.09 65.87 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -9.7 47.71 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.119 -0.988 . . . . 0.0 113.562 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -74.5 -13.39 60.68 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.255 1.206 . . . . 0.0 114.255 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.93 4.01 1.73 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.203 1.801 . . . . 0.0 115.189 -178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -45.14 116.0 2.76 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 126.647 1.979 . . . . 0.0 113.516 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -70.91 -16.45 32.72 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 123.3 2.667 . . . . 0.0 115.032 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 40.11 57.37 2.56 Favored Glycine 0 CA--C 1.545 1.96 0 C-N-CA 125.824 1.678 . . . . 0.0 116.492 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.1 -4.2 14.99 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.141 3.227 . . . . 0.0 115.461 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 125.442 1.497 . . . . 0.0 112.226 -179.702 . . . . . . . . 0 0 . 1 stop_ save_