data_2cu1_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 2cu1 _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 ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 28' ' ' VAL . 98.0 t -118.0 104.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 ttm-85 -68.14 112.6 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.439 ' CG1' HG13 ' A' ' 82' ' ' ILE . 93.3 t -110.67 109.82 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' CB ' HD11 ' A' ' 21' ' ' ILE . 15.3 ttpp -86.58 126.41 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CD2' HD11 ' A' ' 22' ' ' LEU . 12.1 m-85 -99.2 158.84 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -145.98 120.53 9.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -138.85 110.12 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 42.39 53.44 4.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 19' ' ' LYS . . . 89.25 -33.51 4.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.96 155.35 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' CD ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -137.67 148.52 45.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -149.94 116.7 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 12' ' ' LYS . 4.7 mm -92.35 141.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.524 ' CD2' ' CB ' ' A' ' 36' ' ' LYS . 8.1 mp -132.71 169.74 16.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -135.76 118.5 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 80.7 m-85 -126.52 111.39 23.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 112.66 3.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.537 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 74.9 mtt180 -49.4 148.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.75 133.45 25.67 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.351 0.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.446 ' CG2' HG23 ' A' ' 9' ' ' VAL . 23.6 t -75.62 142.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -113.27 130.55 56.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.589 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 57.6 tp -54.45 -45.45 73.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.3 pt-20 -59.84 -38.46 82.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.05 -49.64 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 7.1 mt -54.08 -48.74 70.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -64.86 -54.48 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -42.2 -60.12 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.524 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 25.8 mmmt -52.81 -64.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . . . -43.53 -32.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 17.7 mt -76.71 -38.12 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.79 78.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -88.72 -38.13 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.14 20.96 37.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -144.5 151.71 39.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.7 p -75.25 115.33 14.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 ptp -137.66 146.02 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.1 163.44 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.5 mp -115.19 105.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.8 m80 -111.63 110.73 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -106.94 135.19 48.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.7 p -98.8 123.07 42.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -132.12 -66.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.23 -23.98 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 mt -91.09 176.69 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.87 127.55 72.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.1 mp -115.58 106.6 50.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.73 102.1 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.62 96.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.4 p -108.51 -39.76 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -120.15 158.54 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -48.62 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -39.39 -43.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -50.31 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 26.3 tp -60.12 -56.91 15.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -50.11 -37.44 34.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -76.16 -27.51 56.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB1' ' CE2' ' A' ' 49' ' ' TYR . . . -80.35 -32.7 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.6 t -79.74 -35.61 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -74.05 -39.27 63.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.403 ' CD1' ' C ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.41 -30.67 66.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.49 -55.77 18.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -51.56 -57.97 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -55.65 -42.2 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -62.84 123.29 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.72 -53.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -49.61 -51.73 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -62.35 129.29 40.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -90.58 -45.97 8.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.5 p -141.55 173.75 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 tp -85.37 96.7 9.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -61.81 121.52 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.439 HG13 ' CG1' ' A' ' 11' ' ' VAL . 42.5 mm -118.25 152.36 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.4 mm? -130.77 104.38 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.88 128.97 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.9 122.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.0 mm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 86.9 t -108.47 110.56 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 10' ' ' ARG . 13.8 ttm105 -75.35 126.36 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 82' ' ' ILE . 94.4 t -126.26 109.06 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -88.56 128.57 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CE2' HD11 ' A' ' 22' ' ' LEU . 15.5 m-85 -97.17 161.44 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -151.14 122.18 7.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.505 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.9 t-80 -150.69 132.83 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 39.13 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . 104.23 -37.12 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.521 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pt-20 -62.16 157.29 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -143.3 147.7 35.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -146.68 118.17 7.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 22' ' ' LEU . 71.0 mt -90.19 136.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD11 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -123.42 168.92 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -135.39 116.58 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CE1' ' HG3' ' A' ' 36' ' ' LYS . 85.6 m-85 -124.54 112.22 27.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 113.6 3.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 60.3 mtm180 -50.99 145.91 11.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 139.29 53.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.323 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.9 141.0 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -110.06 128.32 55.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 60.1 tp -51.25 -45.19 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.06 -41.93 75.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.9 -49.29 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 7.4 mt -53.33 -48.73 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -65.69 -55.11 19.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -42.86 -58.58 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 24' ' ' PHE . 22.5 mmmt -53.28 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -44.76 -35.26 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -71.49 -35.41 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mt -77.18 -38.26 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.48 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 2.9 m-85 -87.78 -38.57 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.8 41.19 7.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -167.73 144.79 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -69.29 115.23 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.0 ptp -138.37 145.61 41.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.72 163.54 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.2 mp -118.16 104.84 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.42 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -110.58 110.7 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.7 p90 -104.26 132.5 50.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.1 p -99.07 121.88 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 6.7 t30 -69.89 -56.83 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -133.35 -63.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -129.48 -30.25 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.83 -179.11 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.7 t -130.4 131.44 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.4 mp -118.79 106.16 44.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.91 98.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.0 p -111.48 -41.81 4.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -113.62 159.28 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -56.48 -47.42 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -39.99 -42.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -51.94 58.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 30.1 tp -53.95 -55.58 25.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.8 -40.96 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -77.31 -19.03 56.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . . . -88.32 -28.17 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.8 t -81.74 -31.95 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 9.1 pt-20 -72.52 -39.24 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -68.61 -36.06 78.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.79 -50.81 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.5 -61.97 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -51.74 -38.02 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -67.32 90.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -53.47 -46.24 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -62.59 -47.09 85.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.82 108.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -67.5 -50.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.0 p -149.21 176.98 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.9 tp -86.15 95.82 9.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -61.12 125.86 25.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' A' ' 49' ' ' TYR . 44.8 mm -121.08 151.91 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.5 mm? -131.12 103.87 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' CD1' ' CZ ' ' A' ' 41' ' ' PHE . 36.8 mt -74.72 124.95 27.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -122.04 120.43 61.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.505 HG12 ' CE1' ' A' ' 15' ' ' HIS . 34.4 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 74.7 t -97.96 103.89 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 10' ' ' ARG . 9.0 ttm105 -66.08 113.39 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.464 HG13 ' CD2' ' A' ' 33' ' ' LEU . 90.0 t -118.82 119.95 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -100.67 133.35 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -105.17 154.9 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -148.2 117.96 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 t-80 -145.71 126.26 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 41.42 44.39 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.58 -32.6 4.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 15' ' ' HIS . 70.1 mt-10 -62.15 147.51 47.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -139.58 143.2 37.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -153.79 122.01 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 22' ' ' LEU . 40.1 mt -100.91 144.12 13.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 22' ' ' LEU . 3.2 mm? -130.28 178.91 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -138.47 109.92 6.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 43.2 m-85 -113.01 114.47 48.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.56 4.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.379 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 22.9 mtp180 -53.09 145.58 23.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 141.89 67.84 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.346 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t -84.87 133.1 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -102.78 122.81 45.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.7 tp -45.08 -51.27 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -52.48 -38.87 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -59.51 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 11' ' ' VAL . 9.5 mt -55.35 -49.16 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -64.84 -45.34 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -51.75 -53.65 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 44.2 mmtt -53.86 -64.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -36.03 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.72 -33.77 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.42 -37.36 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -86.99 -38.19 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.15 39.94 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -167.38 143.83 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -73.54 117.39 15.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptp -136.29 151.15 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.74 163.42 27.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.4 mp -121.71 100.6 7.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -106.12 110.56 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.03 136.66 44.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 p -105.1 140.78 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -131.72 -67.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -133.83 28.97 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -141.77 168.85 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 48' ' ' HIS . 61.3 t -124.57 128.39 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.556 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -117.98 106.04 46.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 100.01 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 64' ' ' LEU . 8.7 mt -59.85 102.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.6 p -113.01 -44.63 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -112.58 157.88 20.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.22 -47.76 74.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -41.6 -43.11 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.78 -54.85 32.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' HA ' ' CD2' ' A' ' 58' ' ' LEU . 17.1 tp -50.23 -52.05 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.03 -40.25 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -72.1 -26.56 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -81.82 -34.26 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.2 t -75.75 -39.69 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.3 pt-20 -68.4 -43.33 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -66.31 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tp -61.17 -54.34 45.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -53.28 -60.34 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -55.62 -39.34 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 m -63.42 129.61 40.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mt -89.52 -48.9 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.4 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.0 p80 -54.15 -44.22 71.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.9 ttp -84.63 112.53 20.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -79.82 -45.85 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.0 p -125.74 177.65 6.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 49' ' ' TYR . 15.3 tp -97.0 97.77 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -64.14 125.64 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.4 mm -121.46 144.46 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.2 mm? -124.22 105.17 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.3 mt -74.91 131.82 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.61 122.07 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 t -106.28 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -66.26 118.4 9.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.42 ' CG1' HG13 ' A' ' 82' ' ' ILE . 63.7 t -123.26 117.51 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 28.6 ttmt -98.32 132.3 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -101.43 161.43 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -151.89 117.73 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.501 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.8 t-80 -147.5 130.63 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 45.03 33.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' CE ' ' A' ' 19' ' ' LYS . . . 93.38 -32.74 5.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.524 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.16 156.8 20.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -141.73 146.22 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -153.46 117.27 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.455 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 81.9 mt -95.12 145.44 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.476 ' N ' HD21 ' A' ' 22' ' ' LEU . 3.3 mm? -130.81 -179.84 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -138.59 111.88 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 74.3 m-85 -116.4 112.0 41.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.693 0.759 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 115.47 4.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 21.2 mtp180 -53.53 145.54 28.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.76 147.61 85.01 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.353 -0.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 29' ' ' LYS . 40.9 t -90.17 141.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' N ' HG11 ' A' ' 28' ' ' VAL . 11.1 mmtm -111.17 125.38 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 53.9 tp -48.52 -43.28 35.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -59.53 -40.22 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 9.9 t0 -57.81 -55.37 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 9.8 mt -47.51 -47.49 27.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -64.56 -53.01 54.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -43.82 -59.75 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 23.0 mmmt -51.91 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.15 -32.93 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -73.23 -35.85 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -77.59 -35.17 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.97 64.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -88.55 -38.34 14.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.38 7.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -160.23 148.51 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 p -73.77 116.31 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.4 ptp -137.92 146.88 43.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.84 163.45 28.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -119.28 102.75 8.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -108.12 110.73 22.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -105.75 128.42 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 p -95.89 125.94 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -70.82 -58.67 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -134.25 -59.25 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.35 -31.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.26 178.64 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.7 t -129.78 128.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -114.65 106.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.7 100.91 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.87 101.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p -115.28 -41.25 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.4 p -111.9 153.26 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -52.89 -46.92 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -42.6 -44.52 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.22 -49.71 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 22.3 tp -54.58 -56.46 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.45 -38.14 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -76.94 -20.47 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -88.18 -25.24 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -85.01 -30.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -75.68 -38.25 58.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.0 -30.72 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.28 -51.14 60.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.22 -58.94 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 74' ' ' SER . 12.6 ptm180 -53.85 -39.67 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.3 m -58.86 117.87 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.97 -44.83 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.0 p80 -62.14 -40.51 96.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.3 ttp -76.19 132.51 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -53.36 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -127.91 167.84 16.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.3 tp -85.05 104.22 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -67.58 122.64 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.42 HG13 ' CG1' ' A' ' 11' ' ' VAL . 24.6 mm -120.14 145.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.5 mm? -125.44 105.55 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.416 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 48.3 mt -74.83 126.83 31.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.8 t -124.87 122.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 15' ' ' HIS . 28.9 mm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.45 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 95.2 t -114.17 94.71 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -61.13 125.42 23.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 82' ' ' ILE . 87.0 t -125.92 105.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -85.4 123.34 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -93.91 160.96 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -148.27 136.19 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -157.96 107.34 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 38.96 53.61 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.82 -39.16 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 145.09 53.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -143.54 147.66 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -153.76 116.96 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.8 mt -90.78 131.71 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' CD2' ' CB ' ' A' ' 36' ' ' LYS . 9.1 mp -117.9 169.95 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -137.55 111.4 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 85.4 m-85 -118.95 112.05 36.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.8 2.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 26.7 mtp180 -46.14 148.07 1.63 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.7 140.01 57.82 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.387 -0.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.99 140.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ASP . 21.1 mmtp -112.85 114.11 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' CD2' ' O ' ' A' ' 59' ' ' THR . 21.9 tp -39.02 -47.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 6.6 pt-20 -55.12 -43.05 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 13.7 t0 -56.54 -51.59 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 6.7 mt -51.0 -47.31 61.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -64.45 -55.32 21.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -41.6 -60.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.531 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 24.2 mmmt -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.01 -30.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLY . 30.1 tttm -77.88 -36.61 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mt -74.84 -29.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -48.43 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -90.11 -45.66 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 113.14 0.53 25.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -125.32 157.44 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.76 36.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.19 142.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.13 163.34 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.3 mp -117.79 103.25 9.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -111.71 110.6 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 80' ' ' LEU . 1.9 p90 -103.65 139.61 38.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.8 p -108.41 135.01 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -86.54 -75.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -108.44 -75.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.95 13.29 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -116.9 -177.77 3.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.7 t -135.09 133.72 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.0 mp -128.24 109.34 19.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 106.64 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.26 95.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 20.0 p -106.97 -46.69 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.5 p -110.7 158.82 18.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.58 -42.48 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -67.41 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 HD13 ' CD1' ' A' ' 33' ' ' LEU . 27.3 tp -56.25 -49.29 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.27 -40.66 74.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -75.27 -20.34 59.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . . . -86.07 -32.02 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.5 t -80.73 -42.92 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -63.93 -32.48 74.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -76.32 -32.06 58.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.12 -53.97 37.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.75 -54.33 39.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.66 -35.32 79.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -69.33 100.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.62 -52.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.438 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 3.2 p80 -45.91 -50.75 14.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.87 158.26 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -111.01 -55.34 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.9 p -136.79 176.83 8.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD13 ' CD2' ' A' ' 49' ' ' TYR . 17.6 tp -87.08 94.67 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -63.19 123.33 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.467 HG13 ' CG1' ' A' ' 11' ' ' VAL . 12.2 mm -122.24 143.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.2 mm? -117.89 106.65 13.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.93 117.0 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.6 127.87 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 93.5 t -115.75 102.17 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -67.07 114.7 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 82' ' ' ILE . 94.6 t -112.21 114.48 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CB ' HD12 ' A' ' 21' ' ' ILE . 3.4 ttpm? -90.53 127.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.513 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.2 m-85 -98.32 158.97 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -150.31 121.0 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 84' ' ' LEU . 46.9 t-80 -147.81 112.36 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HD2' ' ND1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER 52.03 41.11 29.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.18 -35.62 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.06 150.8 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -132.21 149.04 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 17.3 mmt180 -148.17 116.35 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 HD12 ' CB ' ' A' ' 12' ' ' LYS . 5.4 mm -91.79 141.61 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.3 mp -133.25 166.71 21.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -133.7 115.89 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 87.7 m-85 -124.03 111.36 28.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.725 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 110.08 2.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 54.0 mtm180 -49.45 147.01 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 131.97 20.84 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.353 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 48.9 t -75.75 144.11 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' N ' HG11 ' A' ' 28' ' ' VAL . 15.8 mmtp -108.3 122.03 46.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 57.0 tp -50.23 -43.1 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.68 -39.69 94.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -48.96 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 6.5 mt -53.29 -48.83 68.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -62.94 -54.55 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -44.8 -56.75 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 1.3 mmmp? -53.62 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.98 -36.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.4 ttpt -69.99 -38.0 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 36' ' ' LYS . 18.6 mt -74.48 -38.67 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.31 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.4 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 32.9 m-85 -87.73 -36.22 17.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.67 26.34 17.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -151.7 148.03 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 m -75.82 120.75 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptp -142.34 150.52 40.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.04 163.66 26.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.1 mp -117.77 102.88 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.6 m80 -106.84 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -104.0 133.7 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 p -103.44 137.7 41.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.8 t30 -87.55 -72.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -120.37 -68.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -134.27 32.56 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mt -144.27 169.11 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.34 134.4 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.563 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.6 mp -124.72 107.58 28.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.75 94.59 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -55.93 98.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.7 p -116.36 -35.67 4.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.6 p -115.27 157.81 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.5 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.3 -42.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -64.62 -52.28 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 23.5 tp -57.7 -55.19 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -53.44 -38.04 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -77.18 -23.61 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -82.04 -37.13 26.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.42 -36.81 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.01 -41.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.82 -32.8 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.15 -54.87 30.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.28 -59.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.6 ptm180 -53.5 -42.89 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 4.2 t -52.41 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.44 -54.09 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -59.38 -51.13 71.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -66.48 125.42 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -93.91 -48.76 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.3 p -125.98 175.25 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.495 HD13 ' CD2' ' A' ' 49' ' ' TYR . 14.6 tp -93.09 95.29 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -60.66 131.94 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 11' ' ' VAL . 28.0 mm -129.01 140.85 48.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.7 mm? -118.33 104.42 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 78.6 mt -74.75 131.71 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 86' ' ' ILE . 95.8 t -127.9 139.03 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.447 ' N ' HG11 ' A' ' 85' ' ' VAL . 49.3 mm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -105.07 105.29 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.86 109.92 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.43 HG11 ' CD2' ' A' ' 33' ' ' LEU . 92.5 t -113.5 125.15 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 18.8 ttmt -105.56 132.85 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -104.38 153.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -143.64 130.63 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -154.69 105.38 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 45.88 42.04 8.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.07 -32.24 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 121.62 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -122.48 139.26 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -154.41 120.21 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.457 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 93.7 mt -98.25 145.74 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' N ' HD21 ' A' ' 22' ' ' LEU . 3.1 mm? -131.8 179.6 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -139.08 111.24 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 67.2 m-85 -112.51 111.46 52.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 116.84 4.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 27.6 mtm105 -56.48 147.49 49.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 128.95 13.45 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.358 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 64.5 t -77.89 140.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -107.8 136.92 46.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.73 -50.22 72.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -54.53 -38.4 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 14.1 t0 -57.79 -51.84 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 9.0 mt -51.11 -47.35 61.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -65.74 -46.45 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -47.79 -56.88 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 31.9 mmmt -53.96 -64.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.04 -32.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 42' ' ' GLY . 31.6 tttp -76.81 -34.37 57.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.6 mt -75.75 -38.55 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.99 -48.15 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -87.16 -39.43 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.68 25.64 24.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -150.54 145.51 26.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.5 t -73.25 120.8 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.401 ' SD ' ' CD1' ' A' ' 84' ' ' LEU . 7.6 ptp -141.81 153.18 44.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' C ' HD11 ' A' ' 47' ' ' LEU . 23.9 m-20 -76.41 163.54 26.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' N ' HD11 ' A' ' 47' ' ' LEU . 10.4 mp -121.19 99.68 6.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -105.29 110.68 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.56 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 2.0 p90 -105.38 136.8 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.8 p -103.72 142.9 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -95.79 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -128.46 -69.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -131.78 29.1 4.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mt -145.38 163.26 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.5 t -118.1 132.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -120.21 105.93 41.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.72 97.45 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.73 98.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.0 p -110.64 -42.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.4 p -117.27 160.33 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -56.62 -46.8 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -40.71 -44.86 2.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.2 -52.89 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.33 -54.48 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -51.3 -38.17 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.44 -25.08 50.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.528 ' CB ' ' CZ ' ' A' ' 49' ' ' TYR . . . -84.07 -27.93 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.6 t -80.05 -38.86 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.0 pt-20 -65.21 -39.37 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -71.45 -27.34 63.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.8 -46.98 73.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -58.52 -51.37 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.97 -38.75 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.2 p -66.74 115.07 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -80.77 -64.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -43.3 -38.83 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.2 ttt -67.52 96.37 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -54.34 -44.7 72.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 p -155.19 178.28 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.4 tp -84.49 96.54 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -63.77 130.66 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 HD13 ' CB ' ' A' ' 49' ' ' TYR . 29.1 mm -124.18 145.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.6 mm? -123.55 105.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' ' SD ' ' A' ' 45' ' ' MET . 74.5 mt -74.82 131.83 41.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.22 119.66 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 28' ' ' VAL . 93.3 t -108.62 90.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -53.8 130.87 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.414 ' CG1' HG13 ' A' ' 82' ' ' ILE . 42.3 t -132.44 109.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -92.45 114.45 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CD2' HD12 ' A' ' 22' ' ' LEU . 13.4 m-85 -85.82 155.14 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -148.75 117.69 6.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -134.01 91.61 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 43.95 51.79 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.49 -41.41 2.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.13 116.01 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.365 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -115.67 134.9 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.95 117.15 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.7 mt -90.64 138.72 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 ' CD2' ' CB ' ' A' ' 36' ' ' LYS . 8.1 mp -125.48 166.03 17.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -138.24 116.42 11.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 68.4 m-85 -121.4 113.45 32.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.668 0.747 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.14 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.5 mtp-105 -47.51 147.71 2.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.85 139.33 54.25 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' CG2' HG22 ' A' ' 9' ' ' VAL . 80.5 t -88.86 141.0 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -112.74 136.8 51.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.53 -43.73 84.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.36 -37.55 86.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -48.03 83.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 5.9 mt -55.69 -50.1 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -61.32 -53.03 61.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -42.75 -56.67 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 1.3 mmmp? -54.9 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.54 -32.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.3 tttt -75.88 -33.87 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt -77.64 -40.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.62 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.04 -21.18 19.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 72.22 12.4 76.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.487 ' NE2' ' CD1' ' A' ' 86' ' ' ILE . 1.5 pt20 -137.86 133.71 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 129.11 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 43' ' ' GLN . 3.6 ptp -150.45 146.09 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.37 163.68 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.1 mp -117.84 108.76 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -114.14 110.92 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -103.16 137.48 41.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.9 p -105.43 122.64 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -71.24 -62.18 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -125.8 -75.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.83 -15.5 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.97 -178.35 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.01 131.35 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -121.73 110.22 33.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.416 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 105.46 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.96 91.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 p -106.83 -40.37 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -117.22 154.19 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -51.38 -46.77 62.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -40.24 -41.9 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.98 -49.46 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.61 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.51 -39.38 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -75.49 -20.8 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB3' ' CE2' ' A' ' 49' ' ' TYR . . . -87.5 -32.88 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.2 t -79.37 -33.35 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.84 -36.11 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.21 -31.85 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.79 -49.22 75.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.51 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -53.79 -30.34 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.6 p -82.81 113.04 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' HIS . 37.4 mm -73.57 -71.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ILE . 4.2 p80 -34.54 -42.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 tpp -59.42 108.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.22 -42.04 99.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -167.1 -178.69 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 49' ' ' TYR . 17.2 tp -83.88 94.63 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -62.39 129.88 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.414 HG13 ' CG1' ' A' ' 11' ' ' VAL . 17.1 mm -125.23 145.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -121.92 107.78 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.86 130.58 39.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.94 119.73 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.487 ' CD1' ' NE2' ' A' ' 43' ' ' GLN . 29.6 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 28' ' ' VAL . 83.9 t -115.8 90.09 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.27 126.75 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 33' ' ' LEU . 93.9 t -124.82 116.94 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' CB ' HD11 ' A' ' 21' ' ' ILE . 17.9 ttpp -95.07 113.36 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' A' ' 22' ' ' LEU . 11.6 m-85 -85.38 157.8 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -151.29 119.15 6.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.486 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.3 t-80 -145.64 106.41 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 57.16 47.84 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.84 -46.29 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -62.46 158.14 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -147.69 161.1 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -150.14 116.43 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 12' ' ' LYS . 5.2 mm -83.99 134.77 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 13' ' ' PHE . 7.5 mp -127.76 167.27 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -137.78 116.31 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 79.5 m-85 -122.49 111.47 31.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 114.3 3.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.387 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.539 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 78.1 mtt180 -50.14 146.93 7.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 131.44 19.29 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.328 -0.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 9' ' ' VAL . 90.5 t -78.97 135.77 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -105.2 135.16 47.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.54 -42.46 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.0 pt-20 -61.26 -35.58 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 1.2 m-20 -62.76 -46.47 87.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 7.4 mt -56.49 -47.44 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -65.59 -55.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -43.75 -57.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 6.6 mmmm -53.79 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . . . -45.08 -38.02 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.1 tttm -68.79 -36.28 78.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.41 -38.76 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.03 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.47 -38.08 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.38 27.15 16.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -153.0 144.36 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -71.75 123.63 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptp -144.22 146.21 32.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.94 163.7 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.8 mp -120.02 99.84 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -106.04 110.81 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -103.33 136.12 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.7 p -105.78 138.41 42.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 9.4 t-20 -89.7 -71.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -120.17 -69.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -133.28 30.33 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.5 mt -140.04 173.0 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.3 t -127.86 127.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.0 mp -116.59 105.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.02 97.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.3 p -109.24 -44.24 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -112.14 160.6 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -58.04 -48.02 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -38.63 -43.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.94 -54.24 33.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.5 tp -49.16 -51.69 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.12 -42.72 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -74.14 -21.62 59.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . . . -82.57 -35.76 26.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.03 -37.86 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.28 -43.74 81.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -35.46 81.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.06 -56.31 23.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -47.85 -59.96 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.3 ptm180 -52.87 -38.88 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.8 t -60.76 109.6 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mt -73.53 -59.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -50.37 -52.15 39.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttt -57.92 133.43 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.8 m -131.1 -178.98 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.77 102.37 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -69.12 126.07 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 83' ' ' LEU . 19.9 mm -123.18 142.57 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.463 ' N ' HG22 ' A' ' 82' ' ' ILE . 2.2 mm? -121.27 107.1 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.73 130.43 39.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.5 t -128.95 118.31 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.486 HG12 ' CE1' ' A' ' 15' ' ' HIS . 33.5 mm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG2' HG21 ' A' ' 28' ' ' VAL . 84.0 t -98.96 101.91 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -64.32 111.51 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.465 ' CG1' HG13 ' A' ' 82' ' ' ILE . 87.4 t -114.58 120.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -98.07 132.09 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 17.3 m-85 -102.08 157.99 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -146.53 131.73 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -157.01 117.11 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 42.9 43.38 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.64 -34.25 4.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -62.03 145.82 52.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -136.02 149.1 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 40' ' ' ALA . 3.8 mmt85 -157.22 116.28 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 72.4 mt -96.59 128.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.444 HD23 ' CE2' ' A' ' 13' ' ' PHE . 2.7 mm? -111.55 -179.04 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -139.27 115.52 10.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 53.3 m-85 -118.57 110.69 38.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 117.56 5.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.532 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 26.3 mtm180 -54.78 147.06 33.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.78 130.82 17.6 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.434 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 85.8 t -80.34 138.09 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -108.73 142.95 38.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 64' ' ' LEU . 40.8 tp -62.94 -40.52 97.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.67 -39.1 87.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.46 -52.03 67.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 14.1 mt -48.66 -45.86 39.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.46 -52.48 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -45.45 -57.82 3.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 28.9 mmmt -55.54 -63.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -46.18 -28.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 42' ' ' GLY . 76.1 tttt -80.67 -32.66 35.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.2 mt -76.28 -33.94 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . . . -68.89 -44.33 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -95.7 -42.65 8.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 103.26 31.5 4.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.547 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.413 ' C ' ' HG3' ' A' ' 38' ' ' LYS . 21.8 mt-30 -152.08 154.67 36.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -82.95 38.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.1 ptp -49.75 155.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -77.13 163.38 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.8 mp -121.89 100.85 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.8 m80 -109.13 112.19 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p90 -105.51 132.61 51.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.2 p -101.47 141.38 34.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.8 t-20 -92.33 -71.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -121.83 -70.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -132.28 30.25 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -141.3 172.24 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.1 t -126.95 130.6 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.551 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -121.78 106.3 37.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 7.6 mt -54.53 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -111.82 -46.69 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.423 ' C ' HD21 ' A' ' 30' ' ' LEU . 81.3 p -111.53 162.35 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -58.9 -47.6 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -40.76 -42.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -63.46 -52.84 59.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 30' ' ' LEU . 20.9 tp -53.38 -56.19 18.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.25 -37.48 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -78.67 -20.83 49.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.574 ' HB3' ' CE2' ' A' ' 49' ' ' TYR . . . -87.93 -24.1 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.2 t -86.05 -37.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.44 -34.78 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -74.5 -40.78 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.1 -49.64 75.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -62.36 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -54.08 -39.0 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -54.54 128.26 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.0 mm -86.29 -62.19 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -49.28 -51.72 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 ttp -61.68 135.81 57.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -99.61 -49.62 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 p -131.81 179.59 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -91.44 96.97 10.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -60.91 126.91 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.465 HG13 ' CG1' ' A' ' 11' ' ' VAL . 22.9 mm -124.05 150.21 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' HIS . 3.4 mm? -128.47 105.07 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 34.3 mt -74.86 125.88 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.2 t -127.43 117.16 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.7 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.6 t -110.13 87.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -51.48 111.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 82' ' ' ILE . 90.4 t -117.88 134.34 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 1.5 ttmp? -112.63 137.51 50.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -107.02 157.62 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -151.87 130.43 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -158.26 114.78 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 46.35 40.66 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.49 -38.53 3.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.94 127.35 30.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.76 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.3 mmp_? -150.47 133.13 15.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.459 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 69.6 mt -103.5 146.38 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.441 ' CD1' ' HE3' ' A' ' 36' ' ' LYS . 3.4 mm? -131.41 -178.8 5.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -138.75 111.91 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 63.1 m-85 -113.87 111.19 48.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 0.0 110.838 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 117.01 4.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.376 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 62.4 mtt180 -52.37 146.34 16.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 144.76 77.46 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 -1.786 . . . . 0.0 112.351 -0.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.79 137.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -111.15 129.74 55.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 tp -54.18 -41.43 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -57.53 -50.94 71.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.455 HD21 ' CE1' ' A' ' 24' ' ' PHE . 8.6 mt -51.53 -46.01 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -66.95 -55.46 14.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.05 -56.0 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 30.5 mmmt -52.13 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.19 -31.38 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -77.16 -31.42 55.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.2 mt -83.48 -27.84 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.13 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -90.27 -36.21 14.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.18 42.01 5.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -166.91 145.42 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -73.93 121.75 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.1 ptp -142.52 142.52 32.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.418 ' C ' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -62.99 163.55 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -121.51 100.18 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -106.71 110.5 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 p90 -104.62 135.64 45.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 p -105.28 139.17 40.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -90.45 -62.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -132.84 -70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -129.8 28.54 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.7 mt -141.24 169.68 17.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -126.66 129.44 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.562 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.9 mp -119.0 106.01 44.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.7 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.22 99.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.5 p -108.42 -44.49 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -121.62 164.11 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -44.93 71.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -41.88 -47.17 4.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -60.82 -54.03 50.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.3 tp -53.46 -55.09 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.91 -37.39 31.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -80.58 -17.59 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 49' ' ' TYR . . . -91.74 -22.63 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.1 t -88.5 -32.65 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -71.23 -37.5 72.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -68.42 -39.18 81.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.04 -51.04 70.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.19 -62.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 73' ' ' ARG . 2.1 ptm85 -53.21 -34.94 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' CE1' ' A' ' 76' ' ' HIS . 8.6 t -74.32 97.9 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.38 -60.61 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' OG ' ' A' ' 74' ' ' SER . 6.8 p80 -44.04 -42.77 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.37 131.18 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -94.82 -41.67 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.0 p -153.29 179.21 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 49' ' ' TYR . 11.4 tp -101.93 91.2 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -53.63 150.78 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.459 HG13 ' CG1' ' A' ' 11' ' ' VAL . 21.8 mm -143.9 134.49 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.1 mm? -116.94 105.37 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.8 133.14 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' ILE . 83.4 t -128.21 116.33 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' VAL . 44.2 mm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.1 t -117.66 101.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -66.61 119.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 82' ' ' ILE . 90.1 t -119.97 110.03 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -94.82 119.8 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 37' ' ' ALA . 27.4 m-85 -86.63 160.78 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -150.95 111.1 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -135.33 103.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 59.3 mtp85 52.46 54.97 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 -42.94 3.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.509 ' CD ' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -61.4 147.9 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 110.881 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 152.66 38.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -152.5 116.19 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.05 133.12 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.502 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -119.28 172.18 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -138.41 115.41 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' ' HG3' ' A' ' 36' ' ' LYS . 88.1 m-85 -123.52 112.55 29.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 111.05 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.54 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.8 mtp-105 -50.43 145.98 9.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.77 135.62 34.75 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.332 0.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 29' ' ' LYS . 73.4 t -83.54 137.81 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' HG11 ' A' ' 28' ' ' VAL . 38.2 mmtt -103.24 126.9 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 64' ' ' LEU . 38.9 tp -50.87 -40.92 57.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -62.78 -39.58 94.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -58.29 -48.37 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 7.5 mt -54.7 -46.05 74.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -67.14 -55.79 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -43.12 -55.85 3.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 24' ' ' PHE . 6.8 mmmm -55.0 -64.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . . . -44.17 -35.33 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.2 tttt -70.55 -37.81 74.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -75.86 -35.95 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.79 -49.75 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.25 -38.82 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.29 42.45 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -168.41 144.15 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.7 p -69.21 117.85 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.8 ptp -140.86 146.26 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' C ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -75.26 162.74 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -117.76 98.62 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.42 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -104.13 110.75 23.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.7 p90 -105.35 137.25 43.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 p -103.75 144.01 32.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.0 t30 -96.91 -61.98 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.09 -70.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -130.99 28.2 4.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mt -143.16 166.55 24.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.95 131.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.2 mp -120.43 105.96 40.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 98.08 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.59 100.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.0 p -109.84 -41.52 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.0 p -118.47 160.21 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -48.66 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -38.3 -43.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.85 -49.61 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 30' ' ' LEU . 25.6 tp -57.5 -55.28 36.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -51.08 -41.54 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.15 -18.34 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -87.07 -30.33 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.63 -33.53 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.17 -36.28 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -72.97 -39.51 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tp -58.03 -51.33 70.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.25 -62.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -52.3 -40.65 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -56.63 121.74 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt -83.18 -49.83 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.0 p80 -60.13 -44.54 94.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.71 134.74 53.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -96.48 -54.25 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.7 p -134.05 174.36 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.5 tp -86.48 97.92 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -63.26 118.78 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.471 HG13 ' CG1' ' A' ' 11' ' ' VAL . 19.3 mm -116.83 149.32 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.456 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.2 mm? -127.2 107.68 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.34 124.86 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.85 122.97 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.9 t -104.32 100.99 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.2 108.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.5 t -112.86 118.7 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -99.99 131.69 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -103.09 162.28 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -150.73 113.64 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' CE1' HG12 ' A' ' 86' ' ' ILE . 11.8 t-80 -135.55 118.66 16.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 46.94 49.83 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.0 -40.74 3.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.27 157.02 23.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.955 0.407 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 153.38 38.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -154.34 118.47 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 58.3 mt -91.4 146.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' HD21 ' A' ' 22' ' ' LEU . 3.4 mm? -132.05 -179.56 5.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -138.66 110.11 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.7 m-85 -113.31 111.86 49.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 115.7 4.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 25.5 mtm105 -54.42 146.96 30.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 136.51 39.13 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.345 -0.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.1 t -83.23 137.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -107.44 126.84 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 59' ' ' THR . 27.6 tp -49.35 -40.09 34.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.9 pt-20 -60.92 -43.66 98.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 23.4 m-20 -56.06 -51.79 66.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 10.1 mt -48.91 -43.67 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -68.53 -54.06 19.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -43.86 -56.7 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 29.3 mmmt -52.89 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.05 -35.64 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.8 ttpt -73.42 -33.08 64.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.2 mt -77.19 -38.12 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -93.55 -36.01 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.05 27.85 19.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -150.37 149.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.5 m -78.06 114.4 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptp -134.63 150.15 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.59 163.51 27.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' N ' HD11 ' A' ' 47' ' ' LEU . 11.2 mp -119.57 100.84 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.1 m80 -107.23 110.8 22.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.89 141.48 37.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.4 p -112.13 117.84 33.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.73 -72.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -126.6 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -131.18 29.76 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -143.8 153.43 42.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.426 ' C ' HG13 ' A' ' 56' ' ' ILE . 65.6 t -103.95 138.64 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 9.4 mt -138.23 108.59 8.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 104.82 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.49 102.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.501 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 32.0 p -121.97 -41.7 2.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -104.73 142.57 34.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -47.91 -44.51 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.49 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 17.0 tp -59.39 -58.98 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.61 -43.03 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -76.75 -14.91 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.522 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -90.36 -30.9 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.7 t -79.1 -34.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.1 -37.76 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.65 -29.43 67.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 79' ' ' SER . 9.6 tp -69.06 -46.77 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -58.37 -58.32 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.4 ptt85 -55.14 -28.06 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -62.35 129.33 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.78 -41.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 6.0 p80 -72.55 -49.67 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.7 mtp -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -126.02 -39.73 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.413 ' C ' HD12 ' A' ' 71' ' ' LEU . 94.8 p -142.29 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 49' ' ' TYR . 23.2 tp -90.3 97.47 11.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.97 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -63.24 126.94 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.4 mm -123.32 148.18 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 83' ' ' LEU . 2.7 mm? -125.77 104.65 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.7 mt -74.74 127.86 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.82 120.88 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.445 HG12 ' CE1' ' A' ' 15' ' ' HIS . 31.7 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.442 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 91.8 t -112.02 104.82 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -68.1 107.08 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.48 HG12 ' CZ ' ' A' ' 13' ' ' PHE . 99.2 t -107.71 123.28 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -102.39 120.33 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 44.2 m-85 -98.48 141.98 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.14 134.28 38.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.466 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.5 t-80 -157.46 122.94 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 41.59 44.25 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.58 -32.88 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' HIS . 29.5 mt-10 -62.61 130.14 43.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -123.07 139.65 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmt-85 -151.96 119.55 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 22' ' ' LEU . 82.7 mt -100.52 142.87 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.445 ' N ' HG22 ' A' ' 21' ' ' ILE . 3.3 mm? -128.24 -176.86 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.39 112.5 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 80.8 m-85 -114.98 111.39 45.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.759 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 110.59 2.6 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 65.4 mtm180 -49.5 146.44 6.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 145.48 79.57 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 29' ' ' LYS . 44.6 t -87.9 141.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' HG11 ' A' ' 28' ' ' VAL . 40.8 mmtt -108.61 129.37 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 64.6 tp -53.2 -45.24 68.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.77 -37.83 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.67 -46.17 89.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 8.4 mt -56.84 -48.56 77.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -64.2 -48.69 74.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -46.39 -54.83 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 32.7 mmmt -56.57 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -80.7 -30.82 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.6 mt -82.21 -36.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.19 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -89.86 -40.79 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.39 42.31 4.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -167.45 149.74 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -75.25 117.72 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.6 ptp -141.75 142.35 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.97 163.43 24.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.27 105.52 11.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.6 m80 -110.59 110.46 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 2.3 p90 -104.26 126.45 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.0 p -94.7 118.65 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 16.2 t-20 -63.5 -70.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -121.58 -59.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.07 -31.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 48' ' ' HIS . 52.3 t -129.55 130.66 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.553 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.0 mp -116.61 106.24 48.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.7 101.71 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.97 101.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.6 p -113.0 -44.96 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.9 p -112.39 154.8 25.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -52.64 -47.28 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -40.73 -44.03 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -63.35 -50.11 71.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 22.7 tp -54.54 -56.84 14.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.48 -38.89 31.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -79.02 -20.9 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.42 -29.06 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -81.95 -34.92 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -72.26 -41.57 66.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -29.1 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.78 -51.22 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.01 -54.5 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -58.04 -37.07 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -67.18 128.37 36.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.31 -47.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -55.94 -39.56 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -85.14 118.74 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -33.1 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.9 p -139.04 164.32 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.9 tp -86.53 95.09 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -60.21 126.09 26.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.402 ' C ' ' CD2' ' A' ' 83' ' ' LEU . 31.7 mm -119.64 145.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.1 mm? -127.48 105.83 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.436 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 50.5 mt -75.0 135.11 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.64 122.69 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.466 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.7 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.1 t -106.3 99.9 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -62.05 106.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.456 ' CG1' HG13 ' A' ' 82' ' ' ILE . 87.7 t -112.68 125.81 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 32.6 ttmt -102.27 135.94 42.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -107.44 157.52 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -149.46 123.2 9.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -158.22 125.71 5.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.64 24.97 12.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.82 -32.02 6.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.06 150.08 48.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 150.71 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -153.85 117.89 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.459 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 85.8 mt -97.84 128.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD1' ' HE2' ' A' ' 36' ' ' LYS . 2.3 mm? -110.68 -178.33 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -139.02 118.76 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 26.7 m-85 -118.1 111.12 39.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.97 2.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 28.7 mtm105 -51.66 146.56 13.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.3 Cg_endo -69.83 136.64 39.92 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.331 0.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 29' ' ' LYS . 60.5 t -85.32 139.93 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' HG13 ' A' ' 28' ' ' VAL . 39.0 mmtt -111.15 126.8 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.0 tp -44.67 -50.61 9.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.08 -40.83 64.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -56.34 -50.49 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 10.2 mt -51.37 -47.91 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 10.4 mtp-105 -66.0 -42.84 89.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -55.35 -51.79 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 7.5 mmmm -57.53 -60.14 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.16 -34.77 15.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.03 -34.75 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -49.57 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -88.02 -36.07 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.89 24.59 29.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -151.41 141.08 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -69.92 119.53 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ptp -140.38 153.67 46.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.92 163.55 27.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.1 mp -122.11 101.38 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.412 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.4 m80 -107.69 110.63 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -103.56 140.95 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.9 p -108.08 143.35 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.174 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.1 t30 -94.31 -65.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.14 -68.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -133.03 24.96 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.3 mt -134.88 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -129.8 121.09 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -110.34 105.93 57.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 104.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -118.46 -34.51 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -123.03 157.74 32.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -55.72 -48.7 74.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.26 -43.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.49 -52.11 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.2 tp -54.34 -55.11 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -52.17 -39.08 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -80.57 -21.93 41.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -83.67 -28.71 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.56 -37.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.13 -38.19 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.03 -33.63 74.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.92 -52.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -51.72 -62.11 1.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 74' ' ' SER . 10.6 ptm180 -49.92 -39.64 40.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.9 m -62.49 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.9 mt -97.51 -48.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -59.91 -43.87 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ttp -72.28 104.12 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -69.49 -49.71 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.9 p -132.53 178.67 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 tp -91.6 96.52 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -63.9 130.25 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 49' ' ' TYR . 30.4 mm -124.93 141.73 44.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 82' ' ' ILE . 2.5 mm? -119.65 106.66 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.4 mt -74.86 128.86 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.49 119.65 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -109.58 102.38 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -65.3 123.6 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.441 ' CG1' HG13 ' A' ' 82' ' ' ILE . 86.7 t -124.28 109.48 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -93.14 119.99 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 22' ' ' LEU . 23.7 m-85 -88.92 160.47 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.406 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.9 mt-10 -151.3 116.0 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.7 t-80 -145.75 131.46 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 40.19 40.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.5 -35.55 3.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' HIS . 28.3 mm-40 -63.93 157.65 24.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HG3' ' C ' ' A' ' 18' ' ' GLU . 40.5 mtpt -144.31 153.73 42.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -154.48 116.22 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 98.6 mt -89.68 136.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 13' ' ' PHE . 10.0 mp -123.2 171.52 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -137.45 116.2 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 73.4 m-85 -124.4 111.33 28.19 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.665 0.745 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 20.6 mtm105 -51.31 146.72 11.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.73 136.3 38.02 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.36 -0.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -82.1 141.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.54 132.99 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.32 -45.7 83.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.94 -36.76 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.84 -49.71 75.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 8.4 mt -54.29 -45.88 72.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 34' ' ' ARG . 13.2 mtp-105 -68.63 -54.06 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -43.59 -58.01 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.47 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 24.2 mmmt -53.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.48 -34.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' GLY . 40.3 tttt -72.92 -35.74 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 19.8 mt -76.62 -36.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.18 72.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -88.59 -39.56 14.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 94.4 26.87 12.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -150.09 150.65 32.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -79.05 108.46 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.7 ptp -129.1 153.28 47.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.57 163.75 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -118.68 107.0 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -112.59 110.22 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.2 p90 -102.12 134.87 44.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.2 p -104.23 136.78 43.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -88.95 -63.54 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 33.9 m-20 -129.83 -74.87 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -126.81 28.39 5.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.24 171.07 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.67 124.9 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.9 mp -113.07 105.81 55.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.1 Cg_endo -69.78 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.74 100.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.0 p -116.21 -38.39 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.8 p -118.35 157.1 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -51.7 -49.19 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.47 -42.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.65 -53.99 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.3 tp -52.26 -53.93 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.7 -42.18 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -77.01 -18.76 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . . . -87.3 -30.44 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.7 t -82.49 -36.57 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.99 -37.78 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.62 -41.78 87.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.28 -42.0 94.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.24 -57.76 7.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.34 -33.45 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -58.69 137.35 57.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.33 -53.92 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -60.59 -50.48 73.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -55.7 149.94 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.0 -50.71 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.2 p -134.48 174.75 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.6 tp -90.75 96.52 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -62.63 125.64 24.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.441 HG13 ' CG1' ' A' ' 11' ' ' VAL . 30.1 mm -123.88 137.44 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.1 mm? -115.71 105.36 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 37.7 mt -74.65 126.22 30.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.58 126.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 15' ' ' HIS . 50.0 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 93.3 t -105.72 103.05 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -63.11 104.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.2 t -110.5 131.0 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.488 ' CB ' HD11 ' A' ' 21' ' ' ILE . 10.3 ttmt -99.15 124.82 44.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -106.01 103.45 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -102.14 131.93 48.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.412 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 7.2 t-80 -147.72 112.3 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 11.9 mtm105 53.87 51.8 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.91 -39.41 3.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.28 159.59 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.93 147.45 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -149.9 116.42 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.488 HD11 ' CB ' ' A' ' 12' ' ' LYS . 5.0 mm -88.99 135.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 21' ' ' ILE . 3.1 mm? -124.85 -178.26 4.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -138.91 120.62 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 67.9 m-85 -121.44 111.24 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.694 0.759 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 112.54 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 79.3 mtt180 -54.49 147.67 28.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.742 . . . . 0.0 110.821 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 129.81 15.3 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.305 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 59.0 t -72.13 134.36 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HZ2' ' NE2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -105.8 139.19 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 56.1 tp -59.59 -43.84 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.48 -38.03 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.09 -49.54 76.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 15.5 mt -52.12 -46.29 65.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -65.53 -46.41 79.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -52.56 -52.66 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 4.9 mmmm -57.21 -59.95 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.34 -33.0 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' GLY . 57.0 tttt -74.98 -35.88 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.85 -34.62 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.93 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -93.13 -38.44 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 93.27 30.21 9.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -152.85 155.17 36.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 m -80.45 119.12 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptp -141.64 151.59 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.42 163.72 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.0 mp -118.04 111.51 19.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -116.44 110.53 18.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -105.29 136.15 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.5 p -102.31 125.69 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 5.3 t30 -77.73 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -123.26 -75.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -126.76 -4.72 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -103.37 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.6 126.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -115.55 108.24 47.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.78 96.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.71 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.7 p -110.81 -45.59 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -110.32 154.52 23.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.547 ' NE2' ' HZ2' ' A' ' 29' ' ' LYS . 50.2 tp60 -53.12 -45.75 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -40.32 -45.3 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.64 -53.21 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 33' ' ' LEU . 16.3 tp -51.42 -53.86 32.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.25 -37.78 48.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -75.7 -21.55 57.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -85.58 -35.69 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.3 -36.13 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.4 -42.88 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -28.92 69.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 tp -72.8 -40.56 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -64.96 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -84.27 -32.24 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -54.34 145.09 18.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.1 mt -109.07 -49.78 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.1 p80 -65.12 -47.05 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 ttp -63.65 140.23 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -97.77 -57.72 2.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 p -132.3 172.0 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.562 HD12 ' CD2' ' A' ' 49' ' ' TYR . 14.8 tp -85.93 102.58 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -70.3 130.84 43.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.9 mm -122.8 146.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.434 HD21 ' N ' ' A' ' 83' ' ' LEU . 3.0 mm? -125.03 104.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 25.8 mt -74.76 137.99 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.36 112.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.1 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.3 t -99.69 110.41 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -70.22 114.8 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 82' ' ' ILE . 85.1 t -119.36 126.39 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 7.4 ttmm -105.49 136.68 44.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -108.45 156.03 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -146.12 127.6 15.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 2.2 t-80 -154.63 117.36 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 44.63 38.65 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.17 -32.91 5.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.16 136.01 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -132.63 142.83 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -154.76 120.42 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 56.1 mt -96.38 146.91 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 22' ' ' LEU . 3.2 mm? -131.33 179.72 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.78 113.48 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 57.6 m-85 -115.61 111.2 43.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.686 0.755 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 44.5 mtm180 -53.92 146.97 25.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 136.05 36.97 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.386 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -77.31 136.82 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -110.35 125.38 53.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 53.1 tp -49.16 -50.34 38.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -51.75 -39.46 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.71 -53.11 61.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD22 ' CE1' ' A' ' 24' ' ' PHE . 12.2 mt -49.41 -47.63 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -65.23 -53.81 38.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -45.28 -53.21 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 31.2 mmmt -54.13 -64.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.1 -33.7 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -73.1 -34.62 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.52 -37.68 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.75 -49.71 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -87.87 -38.64 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.4 29.63 13.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -150.23 155.92 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 114.35 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 ptp -139.74 144.1 37.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.41 163.57 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.9 105.8 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -108.53 110.47 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -102.18 134.55 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.6 p -98.95 117.54 33.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.6 t30 -67.15 -66.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -123.73 -70.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.8 -16.71 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.59 -179.46 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -128.0 133.13 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -120.21 105.66 41.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.416 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.42 101.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.5 p -116.51 -33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -126.77 160.1 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.442 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -54.71 -49.11 71.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -38.25 -45.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -65.51 -47.63 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.442 HD23 ' NE2' ' A' ' 61' ' ' GLN . 21.7 tp -58.63 -56.8 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.96 -39.21 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -77.65 -27.41 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -79.91 -27.98 39.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.38 -41.05 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.56 -36.75 83.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -67.62 -40.45 84.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 tp -57.6 -45.51 85.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.89 -62.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -53.54 -31.24 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 t -68.54 113.02 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.0 mt -77.16 -47.03 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.47 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.4 p80 -61.31 -48.28 82.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 ttt -58.24 146.84 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -109.13 -46.49 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.6 p -143.56 171.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 49' ' ' TYR . 15.6 tp -89.54 93.86 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -61.57 130.86 47.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.471 HG13 ' CG1' ' A' ' 11' ' ' VAL . 18.9 mm -124.6 148.82 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 83' ' ' LEU . 3.4 mm? -124.92 111.32 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 59.5 mt -74.95 132.43 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 t -126.47 120.47 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.8 mm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.445 HG22 ' CG2' ' A' ' 28' ' ' VAL . 89.6 t -114.96 98.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -67.71 102.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.457 ' CG1' HG13 ' A' ' 82' ' ' ILE . 77.8 t -104.41 131.93 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 28.3 ttmt -106.94 121.56 44.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -102.95 105.2 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.14 125.64 51.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.512 ' HD1' ' N ' ' A' ' 16' ' ' ARG . 1.7 t-80 -145.73 123.4 11.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.512 ' N ' ' HD1' ' A' ' 15' ' ' HIS . 38.2 mtp180 46.74 53.89 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.42 -38.63 2.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.02 151.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -146.93 129.55 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -135.84 116.04 13.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.436 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 67.2 mt -95.42 129.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 21' ' ' ILE . 1.1 mm? -112.71 -176.26 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -137.9 110.43 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 71.2 m-85 -112.96 111.28 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 69.5 mtm180 -47.54 148.28 2.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 142.92 72.25 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.371 -0.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' CG2' HG22 ' A' ' 9' ' ' VAL . 46.2 t -86.95 143.83 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -116.41 133.48 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' CA ' HD23 ' A' ' 64' ' ' LEU . 69.8 tp -50.44 -45.21 55.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.59 -40.17 90.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.17 -49.69 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD2' HG11 ' A' ' 11' ' ' VAL . 6.1 mt -54.07 -45.82 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -67.63 -44.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -48.38 -56.19 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.6 mmtm -56.3 -60.41 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -33.13 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -76.9 -30.33 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 mt -83.7 -26.41 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.08 25.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -95.64 -46.32 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.57 35.34 2.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -157.32 153.11 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 37.61 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ptp -49.1 146.84 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.85 163.78 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.1 mp -118.46 108.74 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -116.11 110.29 18.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -103.84 133.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 p -97.26 121.01 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.197 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 12.1 t-20 -68.01 -60.5 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -133.76 -58.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.4 -31.34 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.91 176.63 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.05 127.67 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.7 mp -112.88 106.87 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.8 101.58 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.66 100.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.2 p -115.21 -36.34 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 60.8 p -120.59 157.76 28.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -49.31 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.73 -47.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.58 -46.2 89.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 HD23 ' CA ' ' A' ' 30' ' ' LEU . 22.1 tp -61.76 -57.7 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.52 -39.89 50.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.74 -16.73 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -90.26 -32.07 16.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.16 -34.02 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -71.13 -41.22 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -69.21 -32.18 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.25 -47.36 82.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.74 -56.67 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.43 -30.05 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 m -76.82 94.0 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.49 -58.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -43.64 -52.66 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 ttp -64.87 107.33 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -67.9 -54.3 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 p -131.77 174.8 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 tp -93.35 96.04 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.67 136.55 58.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 49' ' ' TYR . 32.8 mm -128.38 144.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 83' ' ' LEU . 2.3 mm? -125.33 103.15 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.66 135.11 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.85 123.3 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.2 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 96.8 t -107.32 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.11 129.07 38.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.0 t -128.31 118.8 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' CB ' HD12 ' A' ' 21' ' ' ILE . 27.0 ttmt -94.08 121.81 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD2' HD13 ' A' ' 22' ' ' LEU . 9.4 m-85 -95.19 154.75 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -145.67 123.78 12.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -144.14 105.6 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 43.89 35.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.41 -39.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -61.94 127.06 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -122.41 144.53 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' NH2' ' HB2' ' A' ' 40' ' ' ALA . 9.3 mmm-85 -150.12 117.39 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.471 HD12 ' CB ' ' A' ' 12' ' ' LYS . 7.2 mm -84.55 139.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 13' ' ' PHE . 6.8 mp -128.68 165.79 20.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -138.38 114.33 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 82.3 m-85 -119.78 115.4 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.12 2.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 20.7 mtp180 -45.65 146.8 1.71 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.69 136.78 40.32 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.367 -0.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -76.58 132.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 32' ' ' ASP . 27.5 mmtt -100.94 112.85 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 ' C ' ' A' ' 59' ' ' THR . 60.6 tp -42.21 -42.65 3.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.9 -42.0 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 3.7 m-20 -55.71 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 9.5 mt -49.83 -47.17 51.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -67.8 -48.91 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -48.9 -53.76 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 27.5 mmmt -54.96 -64.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLY . 27.4 tttm -67.94 -36.19 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.12 -38.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.415 ' HB2' ' NH2' ' A' ' 20' ' ' ARG . . . -65.49 -47.3 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -89.65 -32.68 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 86.08 19.86 56.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -141.57 169.3 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 t -96.13 114.66 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.41 140.52 41.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.05 163.82 25.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -117.43 108.64 15.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -101.24 136.2 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 p -103.9 140.08 38.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 5.1 t30 -89.92 -63.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -134.26 -65.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -133.18 29.61 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.0 mt -142.76 171.1 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -127.04 127.44 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -118.33 110.6 39.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.78 92.16 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD1' HD13 ' A' ' 82' ' ' ILE . 6.8 mt -50.98 92.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.411 ' C ' HD21 ' A' ' 30' ' ' LEU . 65.4 p -107.38 -42.66 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.1 p -114.32 151.5 32.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.39 -48.7 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -38.16 -45.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -49.25 74.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.16 -56.61 18.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.95 -38.26 49.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -77.31 -21.49 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -84.6 -34.65 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.38 -35.09 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -74.93 -39.29 61.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -72.07 -25.34 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 80' ' ' LEU . 12.7 tp -70.27 -50.51 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.27 -58.05 8.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -55.23 -28.4 52.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.82 123.9 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.6 mt -87.64 -39.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.8 p80 -71.69 -43.5 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.9 mtp -68.86 140.55 55.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -96.78 -44.13 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.411 ' C ' HD12 ' A' ' 71' ' ' LEU . 41.6 m -150.25 179.28 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 71' ' ' LEU . 22.8 tp -83.76 108.18 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.21 129.98 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.425 HD13 ' CD1' ' A' ' 58' ' ' LEU . 17.2 mm -125.92 139.14 52.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.8 mm? -113.47 110.94 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -74.81 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.19 117.5 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -97.81 117.84 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -72.76 85.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 -174.96 16.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -62.63 154.37 29.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.819 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -62.47 96.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.82 91.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.56 177.31 5.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 28' ' ' VAL . 98.0 t -118.0 104.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 ttm-85 -68.14 112.6 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.439 ' CG1' HG13 ' A' ' 82' ' ' ILE . 93.3 t -110.67 109.82 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' CB ' HD11 ' A' ' 21' ' ' ILE . 15.3 ttpp -86.58 126.41 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CD2' HD11 ' A' ' 22' ' ' LEU . 12.1 m-85 -99.2 158.84 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -145.98 120.53 9.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -138.85 110.12 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 42.39 53.44 4.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 19' ' ' LYS . . . 89.25 -33.51 4.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.96 155.35 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' CD ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -137.67 148.52 45.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -149.94 116.7 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.457 HD11 ' CB ' ' A' ' 12' ' ' LYS . 4.7 mm -92.35 141.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.524 ' CD2' ' CB ' ' A' ' 36' ' ' LYS . 8.1 mp -132.71 169.74 16.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -135.76 118.5 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.496 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 80.7 m-85 -126.52 111.39 23.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 112.66 3.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.537 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 74.9 mtt180 -49.4 148.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.75 133.45 25.67 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.351 0.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.446 ' CG2' HG23 ' A' ' 9' ' ' VAL . 23.6 t -75.62 142.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -113.27 130.55 56.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.589 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 57.6 tp -54.45 -45.45 73.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.3 pt-20 -59.84 -38.46 82.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.05 -49.64 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 7.1 mt -54.08 -48.74 70.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -64.86 -54.48 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -42.2 -60.12 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.524 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 25.8 mmmt -52.81 -64.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . . . -43.53 -32.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 17.7 mt -76.71 -38.12 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.79 78.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -88.72 -38.13 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.14 20.96 37.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -144.5 151.71 39.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.7 p -75.25 115.33 14.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.9 ptp -137.66 146.02 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.1 163.44 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.5 mp -115.19 105.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' O ' ' N ' ' A' ' 83' ' ' LEU . 4.8 m80 -111.63 110.73 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -106.94 135.19 48.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.7 p -98.8 123.07 42.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -132.12 -66.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.23 -23.98 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 mt -91.09 176.69 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 40.5 t -124.87 127.55 72.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.1 mp -115.58 106.6 50.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.73 102.1 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.62 96.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.4 p -108.51 -39.76 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -120.15 158.54 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -48.62 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -39.39 -43.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.18 -50.31 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 26.3 tp -60.12 -56.91 15.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -50.11 -37.44 34.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -76.16 -27.51 56.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB1' ' CE2' ' A' ' 49' ' ' TYR . . . -80.35 -32.7 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.6 t -79.74 -35.61 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -74.05 -39.27 63.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.403 ' CD1' ' C ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.41 -30.67 66.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.49 -55.77 18.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -51.56 -57.97 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -55.65 -42.2 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 m -62.84 123.29 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.72 -53.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -49.61 -51.73 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -62.35 129.29 40.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -90.58 -45.97 8.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.5 p -141.55 173.75 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 tp -85.37 96.7 9.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -61.81 121.52 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.439 HG13 ' CG1' ' A' ' 11' ' ' VAL . 42.5 mm -118.25 152.36 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.4 mm? -130.77 104.38 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.9 mt -74.88 128.97 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.9 122.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.6 147.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -128.86 -60.99 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.86 -74.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.9 m -148.02 162.02 40.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.936 0.398 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.2 m -81.21 161.31 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -112.68 -51.56 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.65 49.55 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.6 t -48.39 -19.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -90.59 91.81 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -46.41 145.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -148.96 147.54 24.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -174.13 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 t -169.81 139.82 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.53 63.66 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 94.61 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 t -171.58 128.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t -89.16 96.46 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -151.23 128.12 10.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -155.37 108.28 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.29 49.27 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -91.59 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 69.66 44.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.66 179.3 3.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 167.33 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 86.9 t -108.47 110.56 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 10' ' ' ARG . 13.8 ttm105 -75.35 126.36 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 82' ' ' ILE . 94.4 t -126.26 109.06 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -88.56 128.57 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' CE2' HD11 ' A' ' 22' ' ' LEU . 15.5 m-85 -97.17 161.44 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -151.14 122.18 7.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.505 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.9 t-80 -150.69 132.83 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 39.13 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . 104.23 -37.12 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.521 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pt-20 -62.16 157.29 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.1 mttt -143.3 147.7 35.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -146.68 118.17 7.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 22' ' ' LEU . 71.0 mt -90.19 136.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD11 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -123.42 168.92 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -135.39 116.58 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CE1' ' HG3' ' A' ' 36' ' ' LYS . 85.6 m-85 -124.54 112.22 27.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 113.6 3.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 60.3 mtm180 -50.99 145.91 11.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 139.29 53.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.323 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.9 141.0 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -110.06 128.32 55.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 60.1 tp -51.25 -45.19 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.06 -41.93 75.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.9 -49.29 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.471 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 7.4 mt -53.33 -48.73 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -65.69 -55.11 19.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -42.86 -58.58 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' HG3' ' CE1' ' A' ' 24' ' ' PHE . 22.5 mmmt -53.28 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -44.76 -35.26 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -71.49 -35.41 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mt -77.18 -38.26 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.48 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 2.9 m-85 -87.78 -38.57 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.8 41.19 7.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -167.73 144.79 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -69.29 115.23 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.0 ptp -138.37 145.61 41.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.72 163.54 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.2 mp -118.16 104.84 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.42 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -110.58 110.7 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.7 p90 -104.26 132.5 50.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.1 p -99.07 121.88 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 6.7 t30 -69.89 -56.83 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -133.35 -63.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -129.48 -30.25 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.83 -179.11 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 45.7 t -130.4 131.44 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.4 mp -118.79 106.16 44.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.91 98.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 65.0 p -111.48 -41.81 4.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -113.62 159.28 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -56.48 -47.42 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -39.99 -42.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -51.94 58.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 30.1 tp -53.95 -55.58 25.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.8 -40.96 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -77.31 -19.03 56.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . . . -88.32 -28.17 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.8 t -81.74 -31.95 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 9.1 pt-20 -72.52 -39.24 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -68.61 -36.06 78.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.6 tp -60.79 -50.81 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.5 -61.97 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -51.74 -38.02 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.6 m -67.32 90.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -53.47 -46.24 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -62.59 -47.09 85.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.82 108.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -67.5 -50.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.0 p -149.21 176.98 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.9 tp -86.15 95.82 9.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -61.12 125.86 25.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.479 HD13 ' CB ' ' A' ' 49' ' ' TYR . 44.8 mm -121.08 151.91 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.5 mm? -131.12 103.87 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' CD1' ' CZ ' ' A' ' 41' ' ' PHE . 36.8 mt -74.72 124.95 27.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -122.04 120.43 61.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.505 HG12 ' CE1' ' A' ' 15' ' ' HIS . 34.4 mm -52.33 146.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -125.89 145.73 50.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.11 -78.58 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 t -50.91 161.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.95 0.405 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.1 p -120.01 -46.61 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -156.35 123.32 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.05 86.27 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.9 m -59.7 -46.7 88.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -164.31 158.96 19.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -101.75 -41.06 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 95' ' ' LEU . 33.1 tt0 35.07 54.57 1.91 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 96' ' ' GLU . 54.0 Cg_endo -69.72 106.0 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.264 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.7 p -163.7 156.72 18.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -134.0 85.33 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -9.82 27.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 m -51.46 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.4 m -59.11 114.53 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -130.44 130.67 44.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 t -68.32 99.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.13 -113.17 1.87 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -86.72 126.96 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 t -139.99 137.44 34.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.54 92.13 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -90.03 158.52 17.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 74.7 t -97.96 103.89 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.415 ' NH1' ' HB2' ' A' ' 10' ' ' ARG . 9.0 ttm105 -66.08 113.39 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.464 HG13 ' CD2' ' A' ' 33' ' ' LEU . 90.0 t -118.82 119.95 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -100.67 133.35 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -105.17 154.9 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -148.2 117.96 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 t-80 -145.71 126.26 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 41.42 44.39 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.58 -32.6 4.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 15' ' ' HIS . 70.1 mt-10 -62.15 147.51 47.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -139.58 143.2 37.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -153.79 122.01 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 22' ' ' LEU . 40.1 mt -100.91 144.12 13.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 22' ' ' LEU . 3.2 mm? -130.28 178.91 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -138.47 109.92 6.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 43.2 m-85 -113.01 114.47 48.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 115.56 4.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.379 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 22.9 mtp180 -53.09 145.58 23.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 141.89 67.84 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.346 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.5 t -84.87 133.1 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -102.78 122.81 45.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.7 tp -45.08 -51.27 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -52.48 -38.87 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -59.51 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 11' ' ' VAL . 9.5 mt -55.35 -49.16 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -64.84 -45.34 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -51.75 -53.65 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 44.2 mmtt -53.86 -64.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -36.03 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.72 -33.77 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.42 -37.36 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -86.99 -38.19 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.15 39.94 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -167.38 143.83 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -73.54 117.39 15.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptp -136.29 151.15 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.74 163.42 27.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.4 mp -121.71 100.6 7.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -106.12 110.56 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.03 136.66 44.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 p -105.1 140.78 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -131.72 -67.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -133.83 28.97 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -141.77 168.85 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 48' ' ' HIS . 61.3 t -124.57 128.39 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.556 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -117.98 106.04 46.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 100.01 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD2' ' HA ' ' A' ' 64' ' ' LEU . 8.7 mt -59.85 102.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.6 p -113.01 -44.63 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -112.58 157.88 20.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.22 -47.76 74.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -41.6 -43.11 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.78 -54.85 32.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' HA ' ' CD2' ' A' ' 58' ' ' LEU . 17.1 tp -50.23 -52.05 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.03 -40.25 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -72.1 -26.56 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -81.82 -34.26 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.2 t -75.75 -39.69 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.3 pt-20 -68.4 -43.33 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -66.31 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.0 tp -61.17 -54.34 45.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -53.28 -60.34 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -55.62 -39.34 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 m -63.42 129.61 40.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mt -89.52 -48.9 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.4 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.0 p80 -54.15 -44.22 71.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.9 ttp -84.63 112.53 20.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -79.82 -45.85 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.0 p -125.74 177.65 6.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 49' ' ' TYR . 15.3 tp -97.0 97.77 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -64.14 125.64 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.4 mm -121.46 144.46 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.2 mm? -124.22 105.17 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.3 mt -74.91 131.82 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.61 122.07 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 mm -53.73 136.97 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -117.73 41.7 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 85.13 161.29 33.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.517 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.2 t -57.09 112.33 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.882 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 p -156.69 147.39 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -149.27 160.42 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.24 133.07 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.2 p -110.93 101.19 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -160.21 161.2 33.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.454 ' CD1' ' HG2' ' A' ' 96' ' ' GLU . 1.6 pp -123.29 -42.33 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' HG2' ' CD1' ' A' ' 95' ' ' LEU . 4.7 pt-20 -174.77 149.72 1.29 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 107.92 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -154.04 172.93 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 165.1 83.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 171.13 15.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.6 p -162.76 152.71 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.9 t -124.59 115.25 20.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' GLY . 77.6 p 34.81 43.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -62.35 -55.77 24.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.89 151.07 27.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -148.63 173.22 13.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -139.01 154.34 48.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.92 87.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.17 164.54 12.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.407 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 t -106.28 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -66.26 118.4 9.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.42 ' CG1' HG13 ' A' ' 82' ' ' ILE . 63.7 t -123.26 117.51 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 28.6 ttmt -98.32 132.3 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -101.43 161.43 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -151.89 117.73 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.501 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.8 t-80 -147.5 130.63 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 45.03 33.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' CE ' ' A' ' 19' ' ' LYS . . . 93.38 -32.74 5.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.524 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.16 156.8 20.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -141.73 146.22 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -153.46 117.27 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.455 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 81.9 mt -95.12 145.44 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.476 ' N ' HD21 ' A' ' 22' ' ' LEU . 3.3 mm? -130.81 -179.84 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -138.59 111.88 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 74.3 m-85 -116.4 112.0 41.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.693 0.759 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 115.47 4.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 21.2 mtp180 -53.53 145.54 28.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.76 147.61 85.01 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.353 -0.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 29' ' ' LYS . 40.9 t -90.17 141.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' N ' HG11 ' A' ' 28' ' ' VAL . 11.1 mmtm -111.17 125.38 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 53.9 tp -48.52 -43.28 35.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -59.53 -40.22 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.467 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 9.9 t0 -57.81 -55.37 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 9.8 mt -47.51 -47.49 27.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -64.56 -53.01 54.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -43.82 -59.75 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.567 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 23.0 mmmt -51.91 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -48.15 -32.93 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -73.23 -35.85 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -77.59 -35.17 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.97 64.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -88.55 -38.34 14.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.38 7.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -160.23 148.51 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 p -73.77 116.31 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.4 ptp -137.92 146.88 43.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.84 163.45 28.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -119.28 102.75 8.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -108.12 110.73 22.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -105.75 128.42 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 p -95.89 125.94 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -70.82 -58.67 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -134.25 -59.25 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.35 -31.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.26 178.64 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.7 t -129.78 128.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -114.65 106.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.7 100.91 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.87 101.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p -115.28 -41.25 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.4 p -111.9 153.26 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -52.89 -46.92 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -42.6 -44.52 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.22 -49.71 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 22.3 tp -54.58 -56.46 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.45 -38.14 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -76.94 -20.47 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.518 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -88.18 -25.24 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -85.01 -30.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -75.68 -38.25 58.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.0 -30.72 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.28 -51.14 60.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.22 -58.94 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 74' ' ' SER . 12.6 ptm180 -53.85 -39.67 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.3 m -58.86 117.87 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.97 -44.83 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.0 p80 -62.14 -40.51 96.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.3 ttp -76.19 132.51 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -53.36 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -127.91 167.84 16.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.3 tp -85.05 104.22 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -67.58 122.64 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.42 HG13 ' CG1' ' A' ' 11' ' ' VAL . 24.6 mm -120.14 145.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.5 mm? -125.44 105.55 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 48.3 mt -74.83 126.83 31.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.8 t -124.87 122.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 15' ' ' HIS . 28.9 mm -52.6 121.15 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -83.31 -61.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.89 -111.67 0.87 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.452 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -90.77 153.06 20.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.988 0.423 . . . . 0.0 110.827 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 56.0 m -113.45 92.75 4.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.14 163.83 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.29 142.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 96.5 m -69.91 93.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -172.95 122.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -148.21 159.39 44.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -105.7 139.8 20.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 106.13 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.0 m -155.01 117.4 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.54 161.74 4.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -34.64 14.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.6 p -112.24 167.17 10.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.1 p -124.34 131.52 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -120.78 170.01 9.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -128.12 162.82 26.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.96 -108.2 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -97.69 86.88 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -95.01 121.52 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 125.33 1.01 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.27 174.18 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.45 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 95.2 t -114.17 94.71 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -61.13 125.42 23.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.467 ' CG1' HG13 ' A' ' 82' ' ' ILE . 87.0 t -125.92 105.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -85.4 123.34 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -93.91 160.96 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -148.27 136.19 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -157.96 107.34 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 38.96 53.61 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.82 -39.16 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 145.09 53.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -143.54 147.66 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -153.76 116.96 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.8 mt -90.78 131.71 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' CD2' ' CB ' ' A' ' 36' ' ' LYS . 9.1 mp -117.9 169.95 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -137.55 111.4 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 85.4 m-85 -118.95 112.05 36.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.8 2.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 26.7 mtp180 -46.14 148.07 1.63 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.7 140.01 57.82 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.387 -0.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 93.5 t -83.99 140.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ASP . 21.1 mmtp -112.85 114.11 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' CD2' ' O ' ' A' ' 59' ' ' THR . 21.9 tp -39.02 -47.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 6.6 pt-20 -55.12 -43.05 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 13.7 t0 -56.54 -51.59 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 6.7 mt -51.0 -47.31 61.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -64.45 -55.32 21.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -41.6 -60.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.531 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 24.2 mmmt -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.01 -30.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLY . 30.1 tttm -77.88 -36.61 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mt -74.84 -29.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -48.43 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -90.11 -45.66 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 113.14 0.53 25.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -125.32 157.44 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.76 36.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 ptp -45.19 142.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.13 163.34 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.3 mp -117.79 103.25 9.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -111.71 110.6 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 80' ' ' LEU . 1.9 p90 -103.65 139.61 38.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.8 p -108.41 135.01 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -86.54 -75.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -108.44 -75.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.95 13.29 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -116.9 -177.77 3.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.7 t -135.09 133.72 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.0 mp -128.24 109.34 19.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 106.64 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.26 95.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 20.0 p -106.97 -46.69 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.5 p -110.7 158.82 18.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.58 -42.48 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -67.41 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 HD13 ' CD1' ' A' ' 33' ' ' LEU . 27.3 tp -56.25 -49.29 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.27 -40.66 74.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -75.27 -20.34 59.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . . . -86.07 -32.02 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.5 t -80.73 -42.92 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -63.93 -32.48 74.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.444 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -76.32 -32.06 58.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.12 -53.97 37.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.75 -54.33 39.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.66 -35.32 79.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -69.33 100.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.62 -52.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.438 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 3.2 p80 -45.91 -50.75 14.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.87 158.26 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -111.01 -55.34 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.9 p -136.79 176.83 8.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD13 ' CD2' ' A' ' 49' ' ' TYR . 17.6 tp -87.08 94.67 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -63.19 123.33 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.467 HG13 ' CG1' ' A' ' 11' ' ' VAL . 12.2 mm -122.24 143.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.2 mm? -117.89 106.65 13.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.93 117.0 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.6 127.87 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm -52.48 141.05 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.36 -44.96 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.46 -124.18 7.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.3 p -99.0 171.48 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.5 t -174.94 131.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -70.14 143.79 52.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.08 100.08 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 p -109.12 151.49 26.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -82.53 -45.65 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -167.35 144.56 4.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -90.67 136.63 27.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 127.91 15.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.7 p -150.18 164.36 35.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.81 71.42 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.46 6.4 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.5 t 51.06 41.28 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.6 p -145.03 125.41 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -70.99 163.69 27.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -143.39 141.2 30.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.24 132.11 3.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -40.66 150.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 p -173.25 117.53 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.4 152.04 19.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.93 175.54 5.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 93.5 t -115.75 102.17 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -67.07 114.7 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 82' ' ' ILE . 94.6 t -112.21 114.48 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' CB ' HD12 ' A' ' 21' ' ' ILE . 3.4 ttpm? -90.53 127.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.513 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.2 m-85 -98.32 158.97 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -150.31 121.0 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 84' ' ' LEU . 46.9 t-80 -147.81 112.36 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' HD2' ' ND1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER 52.03 41.11 29.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.18 -35.62 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.06 150.8 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -132.21 149.04 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 17.3 mmt180 -148.17 116.35 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 HD12 ' CB ' ' A' ' 12' ' ' LYS . 5.4 mm -91.79 141.61 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.3 mp -133.25 166.71 21.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -133.7 115.89 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 87.7 m-85 -124.03 111.36 28.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.725 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 110.08 2.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.535 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 54.0 mtm180 -49.45 147.01 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 131.97 20.84 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.353 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 48.9 t -75.75 144.11 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' N ' HG11 ' A' ' 28' ' ' VAL . 15.8 mmtp -108.3 122.03 46.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 57.0 tp -50.23 -43.1 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.68 -39.69 94.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -48.96 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 6.5 mt -53.29 -48.83 68.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -62.94 -54.55 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -44.8 -56.75 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 1.3 mmmp? -53.62 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.98 -36.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.4 ttpt -69.99 -38.0 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 36' ' ' LYS . 18.6 mt -74.48 -38.67 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.31 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.4 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 32.9 m-85 -87.73 -36.22 17.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.67 26.34 17.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -151.7 148.03 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 m -75.82 120.75 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptp -142.34 150.52 40.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.04 163.66 26.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.1 mp -117.77 102.88 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.6 m80 -106.84 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.563 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -104.0 133.7 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.1 p -103.44 137.7 41.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.8 t30 -87.55 -72.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -120.37 -68.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -134.27 32.56 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mt -144.27 169.11 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.4 t -122.34 134.4 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.563 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.6 mp -124.72 107.58 28.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.75 94.59 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -55.93 98.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.7 p -116.36 -35.67 4.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.6 p -115.27 157.81 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.5 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.3 -42.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -64.62 -52.28 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.478 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 23.5 tp -57.7 -55.19 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -53.44 -38.04 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -77.18 -23.61 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -82.04 -37.13 26.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.42 -36.81 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.01 -41.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.82 -32.8 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.15 -54.87 30.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.28 -59.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.6 ptm180 -53.5 -42.89 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 4.2 t -52.41 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.44 -54.09 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -59.38 -51.13 71.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -66.48 125.42 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -93.91 -48.76 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.3 p -125.98 175.25 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.495 HD13 ' CD2' ' A' ' 49' ' ' TYR . 14.6 tp -93.09 95.29 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -60.66 131.94 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 HG13 ' CG1' ' A' ' 11' ' ' VAL . 28.0 mm -129.01 140.85 48.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.7 mm? -118.33 104.42 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.483 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 78.6 mt -74.75 131.71 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.447 HG11 ' N ' ' A' ' 86' ' ' ILE . 95.8 t -127.9 139.03 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.447 ' N ' HG11 ' A' ' 85' ' ' VAL . 49.3 mm -67.02 134.38 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.411 ' N ' HG21 ' A' ' 86' ' ' ILE . 5.1 m-80 -115.56 -55.8 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.58 -140.21 5.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.4 p -113.82 141.46 47.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.9 m -129.98 134.94 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -98.17 40.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.86 128.14 22.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -139.65 141.45 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -171.96 162.91 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 95' ' ' LEU . 1.7 pt? -171.66 134.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -75.47 141.8 73.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.632 2.222 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -140.65 124.98 17.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.68 140.08 4.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 138.22 37.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 m -83.96 -61.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 t -51.41 130.99 28.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -114.03 -59.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 62.68 41.7 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.95 -98.81 2.4 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -65.69 175.67 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -147.61 164.03 34.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.65 131.91 2.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -105.93 165.76 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -105.07 105.29 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.86 109.92 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG11 ' CD2' ' A' ' 33' ' ' LEU . 92.5 t -113.5 125.15 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 18.8 ttmt -105.56 132.85 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -104.38 153.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -143.64 130.63 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -154.69 105.38 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 45.88 42.04 8.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.07 -32.24 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 121.62 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -122.48 139.26 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -154.41 120.21 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.457 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 93.7 mt -98.25 145.74 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' N ' HD21 ' A' ' 22' ' ' LEU . 3.1 mm? -131.8 179.6 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -139.08 111.24 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 67.2 m-85 -112.51 111.46 52.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 116.84 4.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 27.6 mtm105 -56.48 147.49 49.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 128.95 13.45 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.358 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 64.5 t -77.89 140.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -107.8 136.92 46.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 61.5 tp -56.73 -50.22 72.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -54.53 -38.4 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 14.1 t0 -57.79 -51.84 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.501 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 9.0 mt -51.11 -47.35 61.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -65.74 -46.45 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -47.79 -56.88 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 31.9 mmmt -53.96 -64.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.04 -32.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 42' ' ' GLY . 31.6 tttp -76.81 -34.37 57.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.6 mt -75.75 -38.55 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.99 -48.15 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -87.16 -39.43 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.68 25.64 24.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -150.54 145.51 26.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.5 t -73.25 120.8 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.401 ' SD ' ' CD1' ' A' ' 84' ' ' LEU . 7.6 ptp -141.81 153.18 44.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' C ' HD11 ' A' ' 47' ' ' LEU . 23.9 m-20 -76.41 163.54 26.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' N ' HD11 ' A' ' 47' ' ' LEU . 10.4 mp -121.19 99.68 6.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -105.29 110.68 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.56 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 2.0 p90 -105.38 136.8 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.8 p -103.72 142.9 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -95.79 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -128.46 -69.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -131.78 29.1 4.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mt -145.38 163.26 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 73.5 t -118.1 132.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -120.21 105.93 41.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.72 97.45 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.73 98.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 49.0 p -110.64 -42.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.4 p -117.27 160.33 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -56.62 -46.8 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -40.71 -44.86 2.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.2 -52.89 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.33 -54.48 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -51.3 -38.17 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.44 -25.08 50.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.528 ' CB ' ' CZ ' ' A' ' 49' ' ' TYR . . . -84.07 -27.93 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.6 t -80.05 -38.86 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.0 pt-20 -65.21 -39.37 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -71.45 -27.34 63.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.8 -46.98 73.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -58.52 -51.37 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.97 -38.75 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.2 p -66.74 115.07 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -80.77 -64.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -43.3 -38.83 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.2 ttt -67.52 96.37 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -54.34 -44.7 72.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 p -155.19 178.28 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.4 tp -84.49 96.54 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -63.77 130.66 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 HD13 ' CB ' ' A' ' 49' ' ' TYR . 29.1 mm -124.18 145.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.6 mm? -123.55 105.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.401 ' CD1' ' SD ' ' A' ' 45' ' ' MET . 74.5 mt -74.82 131.83 41.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.22 119.66 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.1 mm -48.67 108.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -81.87 -57.88 3.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 157.53 174.54 27.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.3 t -72.34 100.13 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.992 0.425 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.5 t -149.02 162.02 40.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -119.97 128.86 53.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.17 119.9 29.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.2 m -104.68 118.52 36.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -159.54 133.34 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -101.9 171.33 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -125.06 91.78 48.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 159.98 51.4 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -161.98 139.43 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.82 83.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 174.12 10.04 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.6 m -115.24 176.33 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.5 p -174.49 142.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -39.19 -60.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -71.53 158.41 36.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.24 -101.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t 55.84 43.19 28.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -124.55 101.56 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.09 92.81 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.09 171.86 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG22 ' CG2' ' A' ' 28' ' ' VAL . 93.3 t -108.62 90.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -53.8 130.87 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.414 ' CG1' HG13 ' A' ' 82' ' ' ILE . 42.3 t -132.44 109.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -92.45 114.45 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' CD2' HD12 ' A' ' 22' ' ' LEU . 13.4 m-85 -85.82 155.14 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -148.75 117.69 6.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -134.01 91.61 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 43.95 51.79 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.49 -41.41 2.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.13 116.01 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.365 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -115.67 134.9 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.95 117.15 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 58.7 mt -90.64 138.72 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 ' CD2' ' CB ' ' A' ' 36' ' ' LYS . 8.1 mp -125.48 166.03 17.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -138.24 116.42 11.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 68.4 m-85 -121.4 113.45 32.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.668 0.747 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.14 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.5 mtp-105 -47.51 147.71 2.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.85 139.33 54.25 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' CG2' HG22 ' A' ' 9' ' ' VAL . 80.5 t -88.86 141.0 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -112.74 136.8 51.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.2 tp -57.53 -43.73 84.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.36 -37.55 86.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -48.03 83.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 5.9 mt -55.69 -50.1 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -61.32 -53.03 61.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -42.75 -56.67 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 1.3 mmmp? -54.9 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.54 -32.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.3 tttt -75.88 -33.87 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt -77.64 -40.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.62 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.04 -21.18 19.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 72.22 12.4 76.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.487 ' NE2' ' CD1' ' A' ' 86' ' ' ILE . 1.5 pt20 -137.86 133.71 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 129.11 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' A' ' 43' ' ' GLN . 3.6 ptp -150.45 146.09 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.37 163.68 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.1 mp -117.84 108.76 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -114.14 110.92 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -103.16 137.48 41.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.9 p -105.43 122.64 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -71.24 -62.18 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -125.8 -75.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.83 -15.5 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.97 -178.35 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.01 131.35 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -121.73 110.22 33.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.416 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 105.46 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.96 91.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 p -106.83 -40.37 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -117.22 154.19 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -51.38 -46.77 62.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -40.24 -41.9 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.98 -49.46 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.1 tp -56.61 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.51 -39.38 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -75.49 -20.8 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB3' ' CE2' ' A' ' 49' ' ' TYR . . . -87.5 -32.88 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.2 t -79.37 -33.35 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.84 -36.11 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.21 -31.85 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.79 -49.22 75.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.51 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -53.79 -30.34 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.6 p -82.81 113.04 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' HIS . 37.4 mm -73.57 -71.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ILE . 4.2 p80 -34.54 -42.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 tpp -59.42 108.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.22 -42.04 99.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -167.1 -178.69 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.44 HD11 ' CD2' ' A' ' 49' ' ' TYR . 17.2 tp -83.88 94.63 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -62.39 129.88 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.414 HG13 ' CG1' ' A' ' 11' ' ' VAL . 17.1 mm -125.23 145.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -121.92 107.78 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.86 130.58 39.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.94 119.73 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.487 ' CD1' ' NE2' ' A' ' 43' ' ' GLN . 29.6 mm -49.6 132.35 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -102.49 -60.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.97 -141.78 11.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -77.82 136.89 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 t -128.7 137.81 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -140.06 138.01 35.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.28 118.21 27.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 t -109.11 152.64 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -82.28 44.76 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -145.22 128.25 16.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -88.66 143.9 32.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.626 0.727 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 104.7 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 p -94.11 122.13 36.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -44.77 125.92 6.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.85 17.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 t -132.97 -48.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -85.16 124.22 31.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -101.7 117.44 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -93.4 42.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.85 -112.46 4.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -101.83 -54.55 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -114.88 166.79 11.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.88 -76.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.96 175.41 10.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG23 ' CG2' ' A' ' 28' ' ' VAL . 83.9 t -115.8 90.09 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.27 126.75 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG23 ' CD2' ' A' ' 33' ' ' LEU . 93.9 t -124.82 116.94 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' CB ' HD11 ' A' ' 21' ' ' ILE . 17.9 ttpp -95.07 113.36 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' A' ' 22' ' ' LEU . 11.6 m-85 -85.38 157.8 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -151.29 119.15 6.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.486 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.3 t-80 -145.64 106.41 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 57.16 47.84 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.84 -46.29 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -62.46 158.14 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -147.69 161.1 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -150.14 116.43 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 12' ' ' LYS . 5.2 mm -83.99 134.77 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 13' ' ' PHE . 7.5 mp -127.76 167.27 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -137.78 116.31 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 79.5 m-85 -122.49 111.47 31.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 114.3 3.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.387 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.539 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 78.1 mtt180 -50.14 146.93 7.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 131.44 19.29 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.328 -0.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 9' ' ' VAL . 90.5 t -78.97 135.77 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -105.2 135.16 47.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.5 tp -59.54 -42.46 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.0 pt-20 -61.26 -35.58 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.44 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 1.2 m-20 -62.76 -46.47 87.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 7.4 mt -56.49 -47.44 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -65.59 -55.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -43.75 -57.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 6.6 mmmm -53.79 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . . . -45.08 -38.02 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.1 tttm -68.79 -36.28 78.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.41 -38.76 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.03 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.47 -38.08 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.38 27.15 16.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -153.0 144.36 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -71.75 123.63 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 ptp -144.22 146.21 32.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.94 163.7 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.8 mp -120.02 99.84 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -106.04 110.81 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.565 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -103.33 136.12 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.7 p -105.78 138.41 42.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 9.4 t-20 -89.7 -71.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -120.17 -69.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -133.28 30.33 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.5 mt -140.04 173.0 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.3 t -127.86 127.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.565 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.0 mp -116.59 105.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.02 97.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.3 p -109.24 -44.24 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -112.14 160.6 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -58.04 -48.02 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -38.63 -43.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.94 -54.24 33.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.5 tp -49.16 -51.69 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.12 -42.72 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -74.14 -21.62 59.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB2' ' CE1' ' A' ' 49' ' ' TYR . . . -82.57 -35.76 26.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 65.4 t -76.03 -37.86 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.28 -43.74 81.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.09 -35.46 81.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 tp -60.06 -56.31 23.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -47.85 -59.96 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.3 ptm180 -52.87 -38.88 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.442 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.8 t -60.76 109.6 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mt -73.53 -59.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -50.37 -52.15 39.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttt -57.92 133.43 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.8 m -131.1 -178.98 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.77 102.37 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -69.12 126.07 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 83' ' ' LEU . 19.9 mm -123.18 142.57 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.463 ' N ' HG22 ' A' ' 82' ' ' ILE . 2.2 mm? -121.27 107.1 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.73 130.43 39.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.5 t -128.95 118.31 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.486 HG12 ' CE1' ' A' ' 15' ' ' HIS . 33.5 mm -49.74 140.77 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.44 ' N ' HG22 ' A' ' 86' ' ' ILE . 49.6 t30 -122.09 -58.92 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.1 -111.76 0.94 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.4 p -89.29 158.53 17.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.5 t -168.69 144.12 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -136.65 139.32 41.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.37 146.21 46.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.6 p -136.92 140.77 42.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -117.34 89.34 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 96' ' ' GLU . 6.7 tp -170.57 154.7 4.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' N ' ' HG ' ' A' ' 95' ' ' LEU . 38.0 mt-10 -109.17 80.57 1.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.69 14.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.2 p -156.5 172.13 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.58 142.15 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 138.8 38.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.5 m -141.62 170.4 15.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.2 t -107.48 -52.95 2.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -84.26 42.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.823 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -38.93 -46.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -81.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -122.49 169.59 10.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -121.59 86.73 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.64 146.78 18.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -118.61 159.98 22.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.422 ' CG2' HG21 ' A' ' 28' ' ' VAL . 84.0 t -98.96 101.91 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -64.32 111.51 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.465 ' CG1' HG13 ' A' ' 82' ' ' ILE . 87.4 t -114.58 120.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -98.07 132.09 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 17.3 m-85 -102.08 157.99 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -146.53 131.73 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -157.01 117.11 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 42.9 43.38 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.64 -34.25 4.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -62.03 145.82 52.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -136.02 149.1 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 40' ' ' ALA . 3.8 mmt85 -157.22 116.28 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 72.4 mt -96.59 128.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.444 HD23 ' CE2' ' A' ' 13' ' ' PHE . 2.7 mm? -111.55 -179.04 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -139.27 115.52 10.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 53.3 m-85 -118.57 110.69 38.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 117.56 5.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.532 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 26.3 mtm180 -54.78 147.06 33.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.78 130.82 17.6 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.434 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 85.8 t -80.34 138.09 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -108.73 142.95 38.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' N ' HD23 ' A' ' 64' ' ' LEU . 40.8 tp -62.94 -40.52 97.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -60.67 -39.1 87.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -58.46 -52.03 67.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 14.1 mt -48.66 -45.86 39.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.46 -52.48 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -45.45 -57.82 3.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 28.9 mmmt -55.54 -63.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -46.18 -28.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 42' ' ' GLY . 76.1 tttt -80.67 -32.66 35.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 22.2 mt -76.28 -33.94 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . . . -68.89 -44.33 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -95.7 -42.65 8.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 103.26 31.5 4.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.547 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.413 ' C ' ' HG3' ' A' ' 38' ' ' LYS . 21.8 mt-30 -152.08 154.67 36.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -82.95 38.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.1 ptp -49.75 155.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -77.13 163.38 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.8 mp -121.89 100.85 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.8 m80 -109.13 112.19 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.574 ' CE2' ' HB3' ' A' ' 67' ' ' ALA . 1.8 p90 -105.51 132.61 51.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.2 p -101.47 141.38 34.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.8 t-20 -92.33 -71.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -121.83 -70.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -132.28 30.25 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -141.3 172.24 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.1 t -126.95 130.6 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.551 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -121.78 106.3 37.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 7.6 mt -54.53 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -111.82 -46.69 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.423 ' C ' HD21 ' A' ' 30' ' ' LEU . 81.3 p -111.53 162.35 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.3 tp60 -58.9 -47.6 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -40.76 -42.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -63.46 -52.84 59.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 30' ' ' LEU . 20.9 tp -53.38 -56.19 18.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.25 -37.48 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -78.67 -20.83 49.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.574 ' HB3' ' CE2' ' A' ' 49' ' ' TYR . . . -87.93 -24.1 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.2 t -86.05 -37.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.44 -34.78 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -74.5 -40.78 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.1 -49.64 75.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -62.36 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -54.08 -39.0 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -54.54 128.26 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.0 mm -86.29 -62.19 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -49.28 -51.72 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 ttp -61.68 135.81 57.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -99.61 -49.62 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 p -131.81 179.59 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 tp -91.44 96.97 10.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -60.91 126.91 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.465 HG13 ' CG1' ' A' ' 11' ' ' VAL . 22.9 mm -124.05 150.21 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' HIS . 3.4 mm? -128.47 105.07 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 13' ' ' PHE . 34.3 mt -74.86 125.88 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.2 t -127.43 117.16 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.453 HG22 ' N ' ' A' ' 87' ' ' ASN . 49.7 mm -42.15 149.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' HG22 ' A' ' 86' ' ' ILE . 1.9 p30 -125.15 173.35 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.3 -72.15 1.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -150.6 154.61 37.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 110.849 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 91' ' ' GLN . 91.0 m -105.94 139.13 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.101 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.457 ' N ' HG22 ' A' ' 90' ' ' THR . 35.4 mt-30 -117.18 104.31 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.24 118.09 31.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 t -115.68 40.83 2.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -144.11 121.32 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.62 113.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -44.05 139.42 3.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 133.61 26.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.9 p -104.4 -56.48 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.55 133.69 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.74 33.08 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.8 t -47.72 -45.63 28.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 t -122.96 -44.03 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m 57.92 42.27 23.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 m -97.16 126.46 42.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.57 178.93 24.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -114.87 121.48 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' GLY . 68.1 m -144.95 115.87 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.72 137.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.44 169.12 17.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.6 t -110.13 87.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -51.48 111.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.459 ' CG1' HG13 ' A' ' 82' ' ' ILE . 90.4 t -117.88 134.34 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 1.5 ttmp? -112.63 137.51 50.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -107.02 157.62 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -151.87 130.43 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -158.26 114.78 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 46.35 40.66 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.49 -38.53 3.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.94 127.35 30.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.76 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.3 mmp_? -150.47 133.13 15.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.459 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 69.6 mt -103.5 146.38 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.441 ' CD1' ' HE3' ' A' ' 36' ' ' LYS . 3.4 mm? -131.41 -178.8 5.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -138.75 111.91 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 63.1 m-85 -113.87 111.19 48.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 0.0 110.838 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 117.01 4.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.376 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.543 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 62.4 mtt180 -52.37 146.34 16.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 144.76 77.46 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 -1.786 . . . . 0.0 112.351 -0.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.2 t -84.79 137.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -111.15 129.74 55.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 tp -54.18 -41.43 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -57.53 -50.94 71.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 HD21 ' CE1' ' A' ' 24' ' ' PHE . 8.6 mt -51.53 -46.01 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -66.95 -55.46 14.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.05 -56.0 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 30.5 mmmt -52.13 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.19 -31.38 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -77.16 -31.42 55.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.2 mt -83.48 -27.84 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.13 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -90.27 -36.21 14.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.18 42.01 5.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -166.91 145.42 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -73.93 121.75 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.1 ptp -142.52 142.52 32.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' C ' HD11 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -62.99 163.55 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -121.51 100.18 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -106.71 110.5 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 p90 -104.62 135.64 45.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.4 p -105.28 139.17 40.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -90.45 -62.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -132.84 -70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -129.8 28.54 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.7 mt -141.24 169.68 17.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.7 t -126.66 129.44 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.562 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.9 mp -119.0 106.01 44.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.7 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.22 99.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.5 p -108.42 -44.49 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -121.62 164.11 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -44.93 71.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -41.88 -47.17 4.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -60.82 -54.03 50.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.3 tp -53.46 -55.09 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.91 -37.39 31.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -80.58 -17.59 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.549 ' CB ' ' CZ ' ' A' ' 49' ' ' TYR . . . -91.74 -22.63 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.1 t -88.5 -32.65 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -71.23 -37.5 72.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -68.42 -39.18 81.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.04 -51.04 70.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.19 -62.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 73' ' ' ARG . 2.1 ptm85 -53.21 -34.94 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' CE1' ' A' ' 76' ' ' HIS . 8.6 t -74.32 97.9 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.38 -60.61 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' OG ' ' A' ' 74' ' ' SER . 6.8 p80 -44.04 -42.77 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.37 131.18 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -94.82 -41.67 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.0 p -153.29 179.21 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.568 HD11 ' CD2' ' A' ' 49' ' ' TYR . 11.4 tp -101.93 91.2 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -53.63 150.78 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.459 HG13 ' CG1' ' A' ' 11' ' ' VAL . 21.8 mm -143.9 134.49 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.1 mm? -116.94 105.37 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.8 133.14 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' ILE . 83.4 t -128.21 116.33 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 87' ' ' ASN . 44.2 mm -38.15 139.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.414 ' N ' HG21 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -145.04 137.71 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.47 -59.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.6 t -48.51 109.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 m -120.47 124.92 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -86.52 95.59 9.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.32 -46.39 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.1 t -145.51 140.99 27.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -85.47 -59.18 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.0 mt -142.15 136.81 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.456 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 11.5 tt0 -62.23 142.28 95.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 53.9 Cg_endo -69.77 114.3 3.66 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.402 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.4 p -121.32 112.62 18.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.65 135.41 3.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.2 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.6 p -146.92 168.52 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 m -55.89 163.46 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.452 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 91.1 p -36.12 132.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -120.22 160.93 21.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.07 -175.4 22.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -95.77 148.33 22.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -92.9 142.35 27.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.37 103.94 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.66 176.06 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.1 t -117.66 101.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -66.61 119.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 82' ' ' ILE . 90.1 t -119.97 110.03 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -94.82 119.8 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 37' ' ' ALA . 27.4 m-85 -86.63 160.78 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -150.95 111.1 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -135.33 103.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 59.3 mtp85 52.46 54.97 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 -42.94 3.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.509 ' CD ' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -61.4 147.9 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 110.881 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 152.66 38.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -152.5 116.19 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.05 133.12 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.502 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -119.28 172.18 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -138.41 115.41 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' ' HG3' ' A' ' 36' ' ' LYS . 88.1 m-85 -123.52 112.55 29.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 111.05 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.54 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.8 mtp-105 -50.43 145.98 9.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.77 135.62 34.75 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.332 0.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.446 HG11 ' N ' ' A' ' 29' ' ' LYS . 73.4 t -83.54 137.81 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' HG11 ' A' ' 28' ' ' VAL . 38.2 mmtt -103.24 126.9 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 64' ' ' LEU . 38.9 tp -50.87 -40.92 57.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -62.78 -39.58 94.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -58.29 -48.37 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 7.5 mt -54.7 -46.05 74.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -67.14 -55.79 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -43.12 -55.85 3.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.514 ' HG3' ' CE1' ' A' ' 24' ' ' PHE . 6.8 mmmm -55.0 -64.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . . . -44.17 -35.33 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.2 tttt -70.55 -37.81 74.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -75.86 -35.95 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.79 -49.75 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.25 -38.82 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.29 42.45 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -168.41 144.15 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.7 p -69.21 117.85 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.8 ptp -140.86 146.26 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' C ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -75.26 162.74 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -117.76 98.62 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.42 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -104.13 110.75 23.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.7 p90 -105.35 137.25 43.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 30.8 p -103.75 144.01 32.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.0 t30 -96.91 -61.98 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.09 -70.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -130.99 28.2 4.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mt -143.16 166.55 24.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 t -121.95 131.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.2 mp -120.43 105.96 40.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 98.08 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.59 100.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 41.0 p -109.84 -41.52 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 63.0 p -118.47 160.21 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.88 -48.66 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -38.3 -43.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.85 -49.61 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 HD23 ' N ' ' A' ' 30' ' ' LEU . 25.6 tp -57.5 -55.28 36.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -51.08 -41.54 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.15 -18.34 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -87.07 -30.33 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -80.63 -33.53 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.17 -36.28 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -72.97 -39.51 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 tp -58.03 -51.33 70.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.25 -62.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -52.3 -40.65 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -56.63 121.74 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt -83.18 -49.83 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.473 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.0 p80 -60.13 -44.54 94.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.71 134.74 53.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -96.48 -54.25 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.7 p -134.05 174.36 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.5 tp -86.48 97.92 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -63.26 118.78 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.471 HG13 ' CG1' ' A' ' 11' ' ' VAL . 19.3 mm -116.83 149.32 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.2 mm? -127.2 107.68 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.34 124.86 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.85 122.97 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.6 mm -54.55 107.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -87.53 -46.47 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.84 -67.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -174.56 136.63 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.8 m -81.93 131.84 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.38 120.33 40.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.33 89.66 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.5 m -105.9 127.15 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -160.5 125.13 3.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 96' ' ' GLU . 2.5 tt -160.48 131.22 5.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 95' ' ' LEU . 27.4 mt-10 -32.25 95.69 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.667 0.746 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' LEU . 53.7 Cg_endo -69.75 139.4 40.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.8 p -129.0 95.95 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.94 144.83 17.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 109.68 2.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.734 2.289 . . . . 0.0 112.354 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -83.61 124.94 31.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 m -132.1 175.84 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -126.36 -48.27 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t 52.15 42.3 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.11 143.56 9.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -157.59 143.11 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -127.59 -53.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.59 132.27 2.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -112.55 158.01 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.9 t -104.32 100.99 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.2 108.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.5 t -112.86 118.7 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -99.99 131.69 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -103.09 162.28 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -150.73 113.64 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' CE1' HG12 ' A' ' 86' ' ' ILE . 11.8 t-80 -135.55 118.66 16.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 46.94 49.83 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.0 -40.74 3.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.27 157.02 23.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.955 0.407 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 153.38 38.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -154.34 118.47 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 58.3 mt -91.4 146.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' HD21 ' A' ' 22' ' ' LEU . 3.4 mm? -132.05 -179.56 5.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -138.66 110.11 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.549 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.7 m-85 -113.31 111.86 49.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 115.7 4.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 25.5 mtm105 -54.42 146.96 30.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 136.51 39.13 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.345 -0.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.1 t -83.23 137.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -107.44 126.84 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 59' ' ' THR . 27.6 tp -49.35 -40.09 34.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.9 pt-20 -60.92 -43.66 98.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 23.4 m-20 -56.06 -51.79 66.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 10.1 mt -48.91 -43.67 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -68.53 -54.06 19.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -43.86 -56.7 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.549 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 29.3 mmmt -52.89 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.05 -35.64 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.8 ttpt -73.42 -33.08 64.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.2 mt -77.19 -38.12 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -93.55 -36.01 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.05 27.85 19.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -150.37 149.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.5 m -78.06 114.4 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptp -134.63 150.15 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.59 163.51 27.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' N ' HD11 ' A' ' 47' ' ' LEU . 11.2 mp -119.57 100.84 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' N ' ' A' ' 83' ' ' LEU . 2.1 m80 -107.23 110.8 22.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.89 141.48 37.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.4 p -112.13 117.84 33.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.73 -72.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -126.6 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -131.18 29.76 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -143.8 153.43 42.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.426 ' C ' HG13 ' A' ' 56' ' ' ILE . 65.6 t -103.95 138.64 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 9.4 mt -138.23 108.59 8.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.41 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 104.82 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.49 102.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.501 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 32.0 p -121.97 -41.7 2.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -104.73 142.57 34.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -47.91 -44.51 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.49 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 17.0 tp -59.39 -58.98 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.61 -43.03 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -76.75 -14.91 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.522 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -90.36 -30.9 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.7 t -79.1 -34.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.1 -37.76 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.65 -29.43 67.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 79' ' ' SER . 9.6 tp -69.06 -46.77 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -58.37 -58.32 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.4 ptt85 -55.14 -28.06 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -62.35 129.33 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.78 -41.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 6.0 p80 -72.55 -49.67 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.7 mtp -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -126.02 -39.73 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.413 ' C ' HD12 ' A' ' 71' ' ' LEU . 94.8 p -142.29 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 HD11 ' CD2' ' A' ' 49' ' ' TYR . 23.2 tp -90.3 97.47 11.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.97 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -63.24 126.94 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 19.4 mm -123.32 148.18 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 83' ' ' LEU . 2.7 mm? -125.77 104.65 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.7 mt -74.74 127.86 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.82 120.88 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.445 HG12 ' CE1' ' A' ' 15' ' ' HIS . 31.7 mm -48.73 112.11 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -96.84 -56.65 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.3 -138.86 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.2 p -146.63 165.85 28.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m 39.36 44.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -67.96 -48.99 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' THR . . . -129.18 -57.27 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ALA . 10.3 t 35.02 37.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -78.78 157.77 28.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 113.03 5.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -86.59 119.31 71.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.693 0.759 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.89 8.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.1 t -132.11 106.67 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 118.68 78.36 0.6 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -174.04 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.614 2.21 . . . . 0.0 112.381 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.9 p -170.18 159.7 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' GLY . 22.6 p -172.91 167.1 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -125.06 116.97 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 m -78.06 124.64 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.8 49.85 0.3 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -100.25 131.84 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m -111.53 84.9 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.01 126.75 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.51 171.68 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 91.8 t -112.02 104.82 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -68.1 107.08 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.48 HG12 ' CZ ' ' A' ' 13' ' ' PHE . 99.2 t -107.71 123.28 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -102.39 120.33 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CZ ' HG12 ' A' ' 11' ' ' VAL . 44.2 m-85 -98.48 141.98 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.14 134.28 38.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.466 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.5 t-80 -157.46 122.94 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 41.59 44.25 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.58 -32.88 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' HIS . 29.5 mt-10 -62.61 130.14 43.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -123.07 139.65 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmt-85 -151.96 119.55 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 22' ' ' LEU . 82.7 mt -100.52 142.87 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.445 ' N ' HG22 ' A' ' 21' ' ' ILE . 3.3 mm? -128.24 -176.86 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.39 112.5 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 80.8 m-85 -114.98 111.39 45.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.759 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 110.59 2.6 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 65.4 mtm180 -49.5 146.44 6.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 145.48 79.57 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 29' ' ' LYS . 44.6 t -87.9 141.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' HG11 ' A' ' 28' ' ' VAL . 40.8 mmtt -108.61 129.37 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 64.6 tp -53.2 -45.24 68.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.77 -37.83 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.67 -46.17 89.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 8.4 mt -56.84 -48.56 77.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -64.2 -48.69 74.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -46.39 -54.83 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 32.7 mmmt -56.57 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -80.7 -30.82 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.6 mt -82.21 -36.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.19 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -89.86 -40.79 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.39 42.31 4.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -167.45 149.74 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -75.25 117.72 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.6 ptp -141.75 142.35 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.97 163.43 24.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.27 105.52 11.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.6 m80 -110.59 110.46 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 2.3 p90 -104.26 126.45 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.0 p -94.7 118.65 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.446 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 16.2 t-20 -63.5 -70.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -121.58 -59.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.07 -31.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 48' ' ' HIS . 52.3 t -129.55 130.66 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.553 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.0 mp -116.61 106.24 48.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.7 101.71 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.1 mt -62.97 101.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 38.6 p -113.0 -44.96 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.9 p -112.39 154.8 25.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -52.64 -47.28 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -40.73 -44.03 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -63.35 -50.11 71.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 22.7 tp -54.54 -56.84 14.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.48 -38.89 31.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -79.02 -20.9 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.42 -29.06 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.1 t -81.95 -34.92 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -72.26 -41.57 66.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.47 -29.1 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.78 -51.22 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.01 -54.5 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -58.04 -37.07 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -67.18 128.37 36.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.31 -47.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -55.94 -39.56 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -85.14 118.74 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -33.1 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.9 p -139.04 164.32 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.9 tp -86.53 95.09 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -60.21 126.09 26.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.402 ' C ' ' CD2' ' A' ' 83' ' ' LEU . 31.7 mm -119.64 145.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 83' ' ' LEU . 3.1 mm? -127.48 105.83 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.436 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 50.5 mt -75.0 135.11 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.64 122.69 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.466 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.7 mm -56.82 138.87 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -105.05 143.96 32.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.29 -77.75 0.11 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -155.01 139.24 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 t -99.13 135.87 39.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -96.6 43.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 68.26 42.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.0 m -51.35 -56.84 10.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -74.95 105.42 5.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 tp -114.17 116.66 29.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -104.51 135.53 19.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 172.41 12.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -171.91 152.07 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.31 88.64 0.81 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 174.6 9.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.383 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.4 t -87.67 131.99 34.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.0 t -165.05 156.27 14.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -41.62 124.07 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -140.39 135.64 32.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.55 -130.31 2.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -143.44 174.54 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -60.48 163.93 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.25 93.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.05 168.5 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.1 t -106.3 99.9 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -62.05 106.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.456 ' CG1' HG13 ' A' ' 82' ' ' ILE . 87.7 t -112.68 125.81 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 32.6 ttmt -102.27 135.94 42.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -107.44 157.52 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -149.46 123.2 9.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -158.22 125.71 5.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.64 24.97 12.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.82 -32.02 6.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.06 150.08 48.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 150.71 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -153.85 117.89 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.459 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 85.8 mt -97.84 128.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CD1' ' HE2' ' A' ' 36' ' ' LYS . 2.3 mm? -110.68 -178.33 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -139.02 118.76 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 26.7 m-85 -118.1 111.12 39.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.97 2.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 28.7 mtm105 -51.66 146.56 13.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.3 Cg_endo -69.83 136.64 39.92 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.331 0.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 29' ' ' LYS . 60.5 t -85.32 139.93 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' HG13 ' A' ' 28' ' ' VAL . 39.0 mmtt -111.15 126.8 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.0 tp -44.67 -50.61 9.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.08 -40.83 64.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -56.34 -50.49 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 10.2 mt -51.37 -47.91 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 10.4 mtp-105 -66.0 -42.84 89.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -55.35 -51.79 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 7.5 mmmm -57.53 -60.14 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.16 -34.77 15.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.03 -34.75 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -49.57 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -88.02 -36.07 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.89 24.59 29.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -151.41 141.08 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -69.92 119.53 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.7 ptp -140.38 153.67 46.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.92 163.55 27.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.1 mp -122.11 101.38 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.412 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.4 m80 -107.69 110.63 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -103.56 140.95 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.9 p -108.08 143.35 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.174 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.1 t30 -94.31 -65.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.14 -68.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -133.03 24.96 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.3 mt -134.88 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.9 t -129.8 121.09 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.559 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -110.34 105.93 57.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 104.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -118.46 -34.51 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -123.03 157.74 32.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.1 tp60 -55.72 -48.7 74.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.26 -43.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.49 -52.11 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.2 tp -54.34 -55.11 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -52.17 -39.08 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -80.57 -21.93 41.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -83.67 -28.71 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -80.56 -37.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.13 -38.19 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.03 -33.63 74.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.92 -52.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -51.72 -62.11 1.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 74' ' ' SER . 10.6 ptm180 -49.92 -39.64 40.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.9 m -62.49 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.9 mt -97.51 -48.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -59.91 -43.87 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ttp -72.28 104.12 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -69.49 -49.71 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.9 p -132.53 178.67 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 tp -91.6 96.52 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -63.9 130.25 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 HD13 ' CB ' ' A' ' 49' ' ' TYR . 30.4 mm -124.93 141.73 44.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.459 ' N ' HG22 ' A' ' 82' ' ' ILE . 2.5 mm? -119.65 106.66 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.4 mt -74.86 128.86 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.49 119.65 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -50.88 131.9 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -119.08 -45.82 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.55 -178.97 44.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -51.76 -61.48 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -144.72 149.8 36.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 92' ' ' ALA . 6.7 pt20 -85.82 -36.53 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.418 ' N ' ' HG3' ' A' ' 91' ' ' GLN . . . -110.43 98.65 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 80.2 p -73.42 90.7 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -162.14 156.62 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -107.87 -41.17 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -173.0 143.89 1.14 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.624 0.726 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 131.33 20.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -98.13 92.23 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.34 68.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 122.44 9.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -83.24 97.97 9.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.1 m -95.53 90.54 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -112.01 159.01 18.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -39.14 -50.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.64 -172.51 23.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -131.95 128.81 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -82.14 171.01 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.07 78.61 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -120.96 169.36 10.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -109.58 102.38 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -65.3 123.6 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' CG1' HG13 ' A' ' 82' ' ' ILE . 86.7 t -124.28 109.48 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -93.14 119.99 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 22' ' ' LEU . 23.7 m-85 -88.92 160.47 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.406 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.9 mt-10 -151.3 116.0 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.554 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.7 t-80 -145.75 131.46 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 40.19 40.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.5 -35.55 3.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' HIS . 28.3 mm-40 -63.93 157.65 24.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HG3' ' C ' ' A' ' 18' ' ' GLU . 40.5 mtpt -144.31 153.73 42.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -154.48 116.22 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 98.6 mt -89.68 136.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.539 HD12 ' CE2' ' A' ' 13' ' ' PHE . 10.0 mp -123.2 171.52 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -137.45 116.2 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 73.4 m-85 -124.4 111.33 28.19 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.665 0.745 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 20.6 mtm105 -51.31 146.72 11.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.73 136.3 38.02 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.36 -0.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -82.1 141.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.54 132.99 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.32 -45.7 83.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.94 -36.76 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.84 -49.71 75.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 8.4 mt -54.29 -45.88 72.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 34' ' ' ARG . 13.2 mtp-105 -68.63 -54.06 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -43.59 -58.01 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' CB ' ' CD2' ' A' ' 22' ' ' LEU . 24.2 mmmt -53.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -43.48 -34.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' GLY . 40.3 tttt -72.92 -35.74 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 19.8 mt -76.62 -36.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.18 72.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -88.59 -39.56 14.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 94.4 26.87 12.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -150.09 150.65 32.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -79.05 108.46 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.7 ptp -129.1 153.28 47.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.57 163.75 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -118.68 107.0 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -112.59 110.22 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.568 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.2 p90 -102.12 134.87 44.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.2 p -104.23 136.78 43.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -88.95 -63.54 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 33.9 m-20 -129.83 -74.87 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -126.81 28.39 5.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.3 mt -140.24 171.07 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -126.67 124.9 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.9 mp -113.07 105.81 55.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.1 Cg_endo -69.78 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.74 100.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.0 p -116.21 -38.39 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.8 p -118.35 157.1 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -51.7 -49.19 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.47 -42.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.65 -53.99 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 32.3 tp -52.26 -53.93 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.7 -42.18 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -77.01 -18.76 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . . . -87.3 -30.44 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.7 t -82.49 -36.57 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.99 -37.78 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.62 -41.78 87.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.28 -42.0 94.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.24 -57.76 7.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.34 -33.45 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -58.69 137.35 57.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.33 -53.92 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -60.59 -50.48 73.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -55.7 149.94 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.0 -50.71 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.2 p -134.48 174.75 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 23.6 tp -90.75 96.52 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -62.63 125.64 24.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.441 HG13 ' CG1' ' A' ' 11' ' ' VAL . 30.1 mm -123.88 137.44 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 2.1 mm? -115.71 105.36 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 37.7 mt -74.65 126.22 30.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.58 126.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.554 HG12 ' CE1' ' A' ' 15' ' ' HIS . 50.0 mm -56.75 134.3 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -105.39 -52.86 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.24 -172.88 36.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.542 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -109.75 94.35 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.388 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.2 t -171.21 134.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.68 149.22 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.19 132.17 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 68.2 p -137.38 106.45 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 94' ' ' ASN . 1.0 OUTLIER -85.79 113.64 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.439 ' N ' HD21 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -112.03 118.35 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -157.17 119.04 2.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.9 p 43.07 41.49 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -147.37 84.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 172.66 12.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.2 p -114.68 170.44 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.2 p -125.84 148.12 49.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.447 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -156.57 133.34 10.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -91.98 165.16 13.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.3 -101.21 0.2 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 m -52.23 -51.72 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -62.08 88.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.814 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.3 122.03 16.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.17 165.51 24.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 93.3 t -105.72 103.05 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -63.11 104.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.2 t -110.5 131.0 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.488 ' CB ' HD11 ' A' ' 21' ' ' ILE . 10.3 ttmt -99.15 124.82 44.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -106.01 103.45 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -102.14 131.93 48.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.412 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 7.2 t-80 -147.72 112.3 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 11.9 mtm105 53.87 51.8 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.91 -39.41 3.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.28 159.59 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.93 147.45 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -149.9 116.42 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.488 HD11 ' CB ' ' A' ' 12' ' ' LYS . 5.0 mm -88.99 135.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 HD23 ' C ' ' A' ' 21' ' ' ILE . 3.1 mm? -124.85 -178.26 4.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -138.91 120.62 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 67.9 m-85 -121.44 111.24 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.694 0.759 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 112.54 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 79.3 mtt180 -54.49 147.67 28.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.742 . . . . 0.0 110.821 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 129.81 15.3 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.305 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.457 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 59.0 t -72.13 134.36 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HZ2' ' NE2' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -105.8 139.19 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 56.1 tp -59.59 -43.84 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.48 -38.03 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.09 -49.54 76.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 15.5 mt -52.12 -46.29 65.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -65.53 -46.41 79.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -52.56 -52.66 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 4.9 mmmm -57.21 -59.95 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.34 -33.0 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' GLY . 57.0 tttt -74.98 -35.88 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.85 -34.62 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.93 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -93.13 -38.44 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 93.27 30.21 9.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -152.85 155.17 36.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 m -80.45 119.12 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 ptp -141.64 151.59 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.42 163.72 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.0 mp -118.04 111.51 19.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -116.44 110.53 18.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.569 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -105.29 136.15 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.5 p -102.31 125.69 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 5.3 t30 -77.73 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -123.26 -75.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -126.76 -4.72 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -103.37 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.6 126.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -115.55 108.24 47.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.9 Cg_endo -69.78 96.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.71 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.7 p -110.81 -45.59 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -110.32 154.52 23.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.547 ' NE2' ' HZ2' ' A' ' 29' ' ' LYS . 50.2 tp60 -53.12 -45.75 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -40.32 -45.3 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.64 -53.21 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.453 HD13 ' CD1' ' A' ' 33' ' ' LEU . 16.3 tp -51.42 -53.86 32.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.25 -37.78 48.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -75.7 -21.55 57.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.525 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -85.58 -35.69 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.3 -36.13 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.4 -42.88 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -28.92 69.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 tp -72.8 -40.56 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -64.96 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -84.27 -32.24 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -54.34 145.09 18.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.1 mt -109.07 -49.78 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.452 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.1 p80 -65.12 -47.05 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 ttp -63.65 140.23 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -97.77 -57.72 2.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 p -132.3 172.0 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.562 HD12 ' CD2' ' A' ' 49' ' ' TYR . 14.8 tp -85.93 102.58 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -70.3 130.84 43.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.9 mm -122.8 146.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.434 HD21 ' N ' ' A' ' 83' ' ' LEU . 3.0 mm? -125.03 104.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 25.8 mt -74.76 137.99 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.36 112.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.1 mm -40.65 135.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -148.65 134.55 19.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.27 -78.03 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 t -47.08 120.02 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.996 0.426 . . . . 0.0 110.828 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.3 m -123.02 129.04 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -158.01 122.72 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.64 148.04 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -161.81 137.6 7.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -113.25 120.53 41.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.7 tp -89.45 -60.46 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.9 tm-20 48.71 54.94 16.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.435 ' CD ' ' N ' ' A' ' 96' ' ' GLU . 54.1 Cg_endo -69.73 -177.21 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -93.29 160.65 14.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -165.74 83.71 0.1 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 91.58 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.8 m -63.57 -57.1 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.2 p -110.47 117.37 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -103.34 102.57 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.905 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -99.21 131.48 45.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.92 113.42 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -174.56 155.88 2.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -57.33 141.76 45.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.89 -51.49 0.46 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -87.88 161.58 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.3 t -99.69 110.41 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -70.22 114.8 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.471 ' CG1' HG13 ' A' ' 82' ' ' ILE . 85.1 t -119.36 126.39 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 7.4 ttmm -105.49 136.68 44.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -108.45 156.03 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -146.12 127.6 15.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 2.2 t-80 -154.63 117.36 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 44.63 38.65 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.17 -32.91 5.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.16 136.01 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -132.63 142.83 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -154.76 120.42 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 56.1 mt -96.38 146.91 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 22' ' ' LEU . 3.2 mm? -131.33 179.72 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.78 113.48 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 57.6 m-85 -115.61 111.2 43.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.686 0.755 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.534 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 44.5 mtm180 -53.92 146.97 25.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 136.05 36.97 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.386 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 67.3 t -77.31 136.82 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -110.35 125.38 53.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' N ' ' CD2' ' A' ' 64' ' ' LEU . 53.1 tp -49.16 -50.34 38.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -51.75 -39.46 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.71 -53.11 61.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD22 ' CE1' ' A' ' 24' ' ' PHE . 12.2 mt -49.41 -47.63 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.6 mtp85 -65.23 -53.81 38.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -45.28 -53.21 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 31.2 mmmt -54.13 -64.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -49.1 -33.7 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -73.1 -34.62 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.52 -37.68 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.75 -49.71 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -87.87 -38.64 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.4 29.63 13.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -150.23 155.92 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 114.35 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.7 ptp -139.74 144.1 37.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.41 163.57 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.9 105.8 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.416 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -108.53 110.47 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.564 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -102.18 134.55 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.6 p -98.95 117.54 33.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.6 t30 -67.15 -66.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -123.73 -70.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.8 -16.71 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.59 -179.46 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.8 t -128.0 133.13 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -120.21 105.66 41.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.416 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.42 101.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.5 p -116.51 -33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -126.77 160.1 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.442 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -54.71 -49.11 71.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -38.25 -45.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -65.51 -47.63 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.442 HD23 ' NE2' ' A' ' 61' ' ' GLN . 21.7 tp -58.63 -56.8 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.96 -39.21 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -77.65 -27.41 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -79.91 -27.98 39.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -81.38 -41.05 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.56 -36.75 83.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -67.62 -40.45 84.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 tp -57.6 -45.51 85.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.89 -62.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -53.54 -31.24 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 t -68.54 113.02 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.0 mt -77.16 -47.03 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.47 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.4 p80 -61.31 -48.28 82.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 ttt -58.24 146.84 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -109.13 -46.49 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.6 p -143.56 171.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.545 HD13 ' CD2' ' A' ' 49' ' ' TYR . 15.6 tp -89.54 93.86 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -61.57 130.86 47.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.471 HG13 ' CG1' ' A' ' 11' ' ' VAL . 18.9 mm -124.6 148.82 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 83' ' ' LEU . 3.4 mm? -124.92 111.32 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 15' ' ' HIS . 59.5 mt -74.95 132.43 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 t -126.47 120.47 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.8 mm -52.56 109.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -125.67 124.91 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.88 59.8 0.52 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.5 t -131.54 95.94 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.998 0.427 . . . . 0.0 110.824 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.5 p -112.84 97.57 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.52 -46.38 48.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 49.56 39.44 17.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.6 t -87.87 128.76 35.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 0.7 OUTLIER -128.43 42.58 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.0 mt -150.65 168.07 25.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -152.7 150.15 24.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.75 67.35 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.2 t -101.56 51.18 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.77 -144.17 15.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -34.56 14.51 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.7 p 46.54 41.93 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 t -70.27 -50.79 35.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 m -82.87 152.98 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 p -121.75 82.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.77 102.0 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -89.2 -45.54 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -113.52 168.41 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.08 137.4 17.76 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.56 175.09 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.445 HG22 ' CG2' ' A' ' 28' ' ' VAL . 89.6 t -114.96 98.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -67.71 102.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.457 ' CG1' HG13 ' A' ' 82' ' ' ILE . 77.8 t -104.41 131.93 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 28.3 ttmt -106.94 121.56 44.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -102.95 105.2 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.14 125.64 51.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.512 ' HD1' ' N ' ' A' ' 16' ' ' ARG . 1.7 t-80 -145.73 123.4 11.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.512 ' N ' ' HD1' ' A' ' 15' ' ' HIS . 38.2 mtp180 46.74 53.89 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.42 -38.63 2.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.02 151.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -146.93 129.55 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -135.84 116.04 13.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.436 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 67.2 mt -95.42 129.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 21' ' ' ILE . 1.1 mm? -112.71 -176.26 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -137.9 110.43 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.537 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 71.2 m-85 -112.96 111.28 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 69.5 mtm180 -47.54 148.28 2.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 142.92 72.25 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.371 -0.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.445 ' CG2' HG22 ' A' ' 9' ' ' VAL . 46.2 t -86.95 143.83 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -116.41 133.48 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' CA ' HD23 ' A' ' 64' ' ' LEU . 69.8 tp -50.44 -45.21 55.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.59 -40.17 90.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.17 -49.69 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD2' HG11 ' A' ' 11' ' ' VAL . 6.1 mt -54.07 -45.82 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -67.63 -44.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -48.38 -56.19 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.6 mmtm -56.3 -60.41 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -33.13 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -76.9 -30.33 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 mt -83.7 -26.41 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.08 25.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -95.64 -46.32 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.57 35.34 2.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -157.32 153.11 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 37.61 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.3 ptp -49.1 146.84 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.85 163.78 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.1 mp -118.46 108.74 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -116.11 110.29 18.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -103.84 133.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.0 p -97.26 121.01 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.197 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 12.1 t-20 -68.01 -60.5 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -133.76 -58.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.4 -31.34 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 24.0 mt -83.91 176.63 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.0 t -125.05 127.67 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.7 mp -112.88 106.87 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.8 101.58 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.66 100.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.2 p -115.21 -36.34 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 60.8 p -120.59 157.76 28.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -49.31 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.73 -47.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.58 -46.2 89.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 HD23 ' CA ' ' A' ' 30' ' ' LEU . 22.1 tp -61.76 -57.7 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.52 -39.89 50.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.74 -16.73 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 49' ' ' TYR . . . -90.26 -32.07 16.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -79.16 -34.02 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -71.13 -41.22 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -69.21 -32.18 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.1 tp -63.25 -47.36 82.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.74 -56.67 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.43 -30.05 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 m -76.82 94.0 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.49 -58.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -43.64 -52.66 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 ttp -64.87 107.33 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -67.9 -54.3 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 p -131.77 174.8 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.4 tp -93.35 96.04 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.67 136.55 58.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.475 HD11 ' CB ' ' A' ' 49' ' ' TYR . 32.8 mm -128.38 144.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 83' ' ' LEU . 2.3 mm? -125.33 103.15 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 mt -74.66 135.11 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.85 123.3 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.2 mm -51.55 104.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -74.43 110.44 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.84 -58.68 4.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -145.09 128.25 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.961 0.41 . . . . 0.0 110.817 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 t -130.81 152.11 50.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -86.32 161.07 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.15 -56.52 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.5 t -146.63 145.99 30.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -129.98 85.27 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.424 ' C ' HD23 ' A' ' 95' ' ' LEU . 5.5 tt -160.72 132.51 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -135.67 104.6 9.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 145.1 55.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -111.01 156.38 21.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -133.4 72.3 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -20.59 34.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.343 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.6 m -73.33 157.38 37.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 p -51.3 -44.61 61.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -113.14 82.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -126.06 103.99 8.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.25 -92.6 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -124.92 122.53 37.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -81.96 165.06 21.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.99 86.08 1.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.33 166.72 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.451 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 96.8 t -107.32 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.11 129.07 38.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.0 t -128.31 118.8 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' CB ' HD12 ' A' ' 21' ' ' ILE . 27.0 ttmt -94.08 121.81 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.567 ' CD2' HD13 ' A' ' 22' ' ' LEU . 9.4 m-85 -95.19 154.75 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -145.67 123.78 12.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -144.14 105.6 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 43.89 35.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.41 -39.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -61.94 127.06 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -122.41 144.53 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' NH2' ' HB2' ' A' ' 40' ' ' ALA . 9.3 mmm-85 -150.12 117.39 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.471 HD12 ' CB ' ' A' ' 12' ' ' LYS . 7.2 mm -84.55 139.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.567 HD13 ' CD2' ' A' ' 13' ' ' PHE . 6.8 mp -128.68 165.79 20.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -138.38 114.33 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 82.3 m-85 -119.78 115.4 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 108.12 2.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.319 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.541 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 20.7 mtp180 -45.65 146.8 1.71 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.69 136.78 40.32 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.367 -0.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -76.58 132.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HB2' ' CG ' ' A' ' 32' ' ' ASP . 27.5 mmtt -100.94 112.85 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 ' C ' ' A' ' 59' ' ' THR . 60.6 tp -42.21 -42.65 3.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.9 -42.0 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 3.7 m-20 -55.71 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 24' ' ' PHE . 9.5 mt -49.83 -47.17 51.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -67.8 -48.91 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -48.9 -53.76 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 27.5 mmmt -54.96 -64.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLY . 27.4 tttm -67.94 -36.19 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.12 -38.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' HB2' ' NH2' ' A' ' 20' ' ' ARG . . . -65.49 -47.3 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -89.65 -32.68 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 86.08 19.86 56.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -141.57 169.3 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 t -96.13 114.66 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.41 140.52 41.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -70.05 163.82 25.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -117.43 108.64 15.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -101.24 136.2 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.7 p -103.9 140.08 38.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 51' ' ' ASN . 5.1 t30 -89.92 -63.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -134.26 -65.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -133.18 29.61 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.0 mt -142.76 171.1 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -127.04 127.44 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -118.33 110.6 39.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.78 92.16 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.425 ' CD1' HD13 ' A' ' 82' ' ' ILE . 6.8 mt -50.98 92.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.411 ' C ' HD21 ' A' ' 30' ' ' LEU . 65.4 p -107.38 -42.66 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.1 p -114.32 151.5 32.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.39 -48.7 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -38.16 -45.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -49.25 74.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.3 tp -61.16 -56.61 18.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.95 -38.26 49.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -77.31 -21.49 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.517 ' HB2' ' CE2' ' A' ' 49' ' ' TYR . . . -84.6 -34.65 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.38 -35.09 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -74.93 -39.29 61.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -72.07 -25.34 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 80' ' ' LEU . 12.7 tp -70.27 -50.51 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.27 -58.05 8.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -55.23 -28.4 52.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.82 123.9 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.6 mt -87.64 -39.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.476 ' CD2' ' H ' ' A' ' 76' ' ' HIS . 5.8 p80 -71.69 -43.5 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.9 mtp -68.86 140.55 55.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -96.78 -44.13 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.411 ' C ' HD12 ' A' ' 71' ' ' LEU . 41.6 m -150.25 179.28 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 71' ' ' LEU . 22.8 tp -83.76 108.18 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.21 129.98 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.425 HD13 ' CD1' ' A' ' 58' ' ' LEU . 17.2 mm -125.92 139.14 52.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 83' ' ' LEU . 1.8 mm? -113.47 110.94 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -74.81 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.19 117.5 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm -53.36 133.24 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.57 -54.9 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.31 -97.39 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.0 t -167.57 106.54 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.5 p -120.11 110.73 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -102.9 118.4 36.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.54 131.49 46.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 94' ' ' ASN . 7.9 t -104.65 -39.41 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 93' ' ' THR . 30.3 t-20 -96.1 85.64 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 tt -127.08 81.62 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -173.36 135.95 0.7 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.707 0.765 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 155.33 66.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.0 m -48.33 -45.43 35.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 48.6 66.99 1.83 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.78 5.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.2 p -110.2 98.5 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.5 p -97.46 174.85 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.475 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.0 104.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 ttm-85 -68.14 112.6 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.992 HG21 HD21 ' A' ' 33' ' ' LEU . 93.3 t -110.67 109.82 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HD3' HD11 ' A' ' 21' ' ' ILE . 15.3 ttpp -86.58 126.41 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.1 m-85 -99.2 158.84 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.668 ' HB2' HD13 ' A' ' 83' ' ' LEU . 13.3 mt-10 -145.98 120.53 9.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -138.85 110.12 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 42.39 53.44 4.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 19' ' ' LYS . . . 89.25 -33.51 4.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.96 155.35 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' CD ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -137.67 148.52 45.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -149.94 116.7 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.519 ' C ' HD12 ' A' ' 22' ' ' LEU . 4.7 mm -92.35 141.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.712 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.1 mp -132.71 169.74 16.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -135.76 118.5 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 80.7 m-85 -126.52 111.39 23.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 112.66 3.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 74.9 mtt180 -49.4 148.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.75 133.45 25.67 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.351 0.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.406 HG23 ' HG2' ' A' ' 26' ' ' ARG . 23.6 t -75.62 142.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -113.27 130.55 56.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.592 ' CA ' HD22 ' A' ' 64' ' ' LEU . 57.6 tp -54.45 -45.45 73.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.3 pt-20 -59.84 -38.46 82.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.05 -49.64 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.992 HD21 HG21 ' A' ' 11' ' ' VAL . 7.1 mt -54.08 -48.74 70.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG2' HD13 ' A' ' 47' ' ' LEU . 58.9 mtp85 -64.86 -54.48 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -42.2 -60.12 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.573 ' HB3' HD21 ' A' ' 22' ' ' LEU . 25.8 mmmt -52.81 -64.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -43.53 -32.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 17.7 mt -76.71 -38.12 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.79 78.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -88.72 -38.13 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.14 20.96 37.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -144.5 151.71 39.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.7 p -75.25 115.33 14.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.9 ptp -137.66 146.02 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.1 163.44 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.5 mp -115.19 105.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 4.8 m80 -111.63 110.73 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -106.94 135.19 48.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 HG22 ' A' ' 55' ' ' VAL . 42.7 p -98.8 123.07 42.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -132.12 -66.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.23 -23.98 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 mt -91.09 176.69 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 50' ' ' THR . 40.5 t -124.87 127.55 72.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.1 mp -115.58 106.6 50.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.73 102.1 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 63' ' ' ASP . 8.6 mt -59.62 96.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.4 p -108.51 -39.76 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -120.15 158.54 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -48.56 -48.62 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -39.39 -43.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -65.18 -50.31 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.592 HD22 ' CA ' ' A' ' 30' ' ' LEU . 26.3 tp -60.12 -56.91 15.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -50.11 -37.44 34.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -76.16 -27.51 56.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -80.35 -32.7 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 64' ' ' LEU . 45.6 t -79.74 -35.61 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -74.05 -39.27 63.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.41 -30.67 66.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.49 -55.77 18.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -51.56 -57.97 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' SER . 16.7 ptm180 -55.65 -42.2 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 2.3 m -62.84 123.29 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.72 -53.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -49.61 -51.73 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -62.35 129.29 40.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -90.58 -45.97 8.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.5 p -141.55 173.75 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.776 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.0 tp -85.37 96.7 9.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -61.81 121.52 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.849 ' C ' HD22 ' A' ' 83' ' ' LEU . 42.5 mm -118.25 152.36 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.849 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -130.77 104.38 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.463 HD22 ' HG3' ' A' ' 45' ' ' MET . 34.9 mt -74.88 128.97 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.9 122.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.0 mm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 86.9 t -108.47 110.56 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 13.8 ttm105 -75.35 126.36 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.766 HG21 HD21 ' A' ' 33' ' ' LEU . 94.4 t -126.26 109.06 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -88.56 128.57 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.773 ' CE2' HD13 ' A' ' 22' ' ' LEU . 15.5 m-85 -97.17 161.44 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -151.14 122.18 7.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.512 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.9 t-80 -150.69 132.83 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 39.13 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . 104.23 -37.12 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.521 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pt-20 -62.16 157.29 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 18' ' ' GLU . 50.1 mttt -143.3 147.7 35.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -146.68 118.17 7.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 22' ' ' LEU . 71.0 mt -90.19 136.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.773 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -123.42 168.92 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -135.39 116.58 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 85.6 m-85 -124.54 112.22 27.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 113.6 3.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 60.3 mtm180 -50.99 145.91 11.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 139.29 53.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.323 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.9 141.0 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -110.06 128.32 55.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.556 ' CA ' HD22 ' A' ' 64' ' ' LEU . 60.1 tp -51.25 -45.19 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.06 -41.93 75.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.9 -49.29 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 HG21 ' A' ' 11' ' ' VAL . 7.4 mt -53.33 -48.73 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HG2' HD13 ' A' ' 47' ' ' LEU . 39.4 mtp180 -65.69 -55.11 19.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -42.86 -58.58 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.542 ' HB3' HD21 ' A' ' 22' ' ' LEU . 22.5 mmmt -53.28 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -44.76 -35.26 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -71.49 -35.41 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mt -77.18 -38.26 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.48 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 2.9 m-85 -87.78 -38.57 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.8 41.19 7.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -167.73 144.79 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -69.29 115.23 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.59 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.0 ptp -138.37 145.61 41.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.72 163.54 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.2 mp -118.16 104.84 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -110.58 110.7 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.7 p90 -104.26 132.5 50.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.717 HG22 HG22 ' A' ' 55' ' ' VAL . 39.1 p -99.07 121.88 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.7 t30 -69.89 -56.83 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -133.35 -63.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -129.48 -30.25 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.83 -179.11 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 50' ' ' THR . 45.7 t -130.4 131.44 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.4 mp -118.79 106.16 44.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.91 98.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 57' ' ' PRO . 65.0 p -111.48 -41.81 4.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -113.62 159.28 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -56.48 -47.42 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -39.99 -42.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -51.94 58.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' CA ' ' A' ' 30' ' ' LEU . 30.1 tp -53.95 -55.58 25.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.8 -40.96 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -77.31 -19.03 56.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -88.32 -28.17 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 64' ' ' LEU . 87.8 t -81.74 -31.95 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 9.1 pt-20 -72.52 -39.24 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -68.61 -36.06 78.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 80' ' ' LEU . 5.6 tp -60.79 -50.81 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.5 -61.97 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -51.74 -38.02 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 77' ' ' MET . 3.6 m -67.32 90.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -53.47 -46.24 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -62.59 -47.09 85.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.401 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 0.5 OUTLIER -54.82 108.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -67.5 -50.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.0 p -149.21 176.98 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' HD22 ' A' ' 71' ' ' LEU . 21.9 tp -86.15 95.82 9.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -61.12 125.86 25.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.846 ' C ' HD22 ' A' ' 83' ' ' LEU . 44.8 mm -121.08 151.91 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.846 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.5 mm? -131.12 103.87 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' HG3' ' A' ' 45' ' ' MET . 36.8 mt -74.72 124.95 27.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -122.04 120.43 61.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.512 HG12 ' CE1' ' A' ' 15' ' ' HIS . 34.4 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 28' ' ' VAL . 74.7 t -97.96 103.89 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 9.0 ttm105 -66.08 113.39 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 33' ' ' LEU . 90.0 t -118.82 119.95 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -100.67 133.35 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' HE1' HG21 ' A' ' 82' ' ' ILE . 26.6 m-85 -105.17 154.9 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -148.2 117.96 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 t-80 -145.71 126.26 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 41.42 44.39 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.58 -32.6 4.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 15' ' ' HIS . 70.1 mt-10 -62.15 147.51 47.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -139.58 143.2 37.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -153.79 122.01 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.751 ' C ' HD22 ' A' ' 22' ' ' LEU . 40.1 mt -100.91 144.12 13.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.751 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.2 mm? -130.28 178.91 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -138.47 109.92 6.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 43.2 m-85 -113.01 114.47 48.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.75 115.56 4.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.379 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 22.9 mtp180 -53.09 145.58 23.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 141.89 67.84 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.346 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 9' ' ' VAL . 98.5 t -84.87 133.1 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -102.78 122.81 45.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.7 tp -45.08 -51.27 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -52.48 -38.87 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -59.51 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 11' ' ' VAL . 9.5 mt -55.35 -49.16 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HG2' HD13 ' A' ' 47' ' ' LEU . 31.2 mtp180 -64.84 -45.34 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -51.75 -53.65 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 44.2 mmtt -53.86 -64.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -36.03 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.72 -33.77 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.42 -37.36 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -86.99 -38.19 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.15 39.94 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -167.38 143.83 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -73.54 117.39 15.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.645 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -136.29 151.15 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.74 163.42 27.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD13 ' HG2' ' A' ' 34' ' ' ARG . 10.4 mp -121.71 100.6 7.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -106.12 110.56 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.03 136.66 44.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.739 HG22 HG22 ' A' ' 55' ' ' VAL . 36.2 p -105.1 140.78 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -131.72 -67.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -133.83 28.97 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -141.77 168.85 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 50' ' ' THR . 61.3 t -124.57 128.39 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -117.98 106.04 46.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 100.01 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 64' ' ' LEU . 8.7 mt -59.85 102.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.6 p -113.01 -44.63 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -112.58 157.88 20.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.539 HE21 HD23 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -55.22 -47.76 74.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -41.6 -43.11 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.78 -54.85 32.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD23 HE21 ' A' ' 61' ' ' GLN . 17.1 tp -50.23 -52.05 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.03 -40.25 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -72.1 -26.56 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.52 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -81.82 -34.26 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.2 t -75.75 -39.69 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.3 pt-20 -68.4 -43.33 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.31 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 80' ' ' LEU . 9.0 tp -61.17 -54.34 45.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -53.28 -60.34 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -55.62 -39.34 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 m -63.42 129.61 40.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mt -89.52 -48.9 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -54.15 -44.22 71.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.9 ttp -84.63 112.53 20.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -79.82 -45.85 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.0 p -125.74 177.65 6.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.535 ' HB2' HD22 ' A' ' 71' ' ' LEU . 15.3 tp -97.0 97.77 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -64.14 125.64 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.806 ' C ' HD22 ' A' ' 83' ' ' LEU . 34.4 mm -121.46 144.46 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -124.22 105.17 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.645 HD13 ' SD ' ' A' ' 45' ' ' MET . 64.3 mt -74.91 131.82 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.61 122.07 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 t -106.28 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -66.26 118.4 9.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.644 HG21 HD21 ' A' ' 33' ' ' LEU . 63.7 t -123.26 117.51 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.473 ' HE2' HD11 ' A' ' 21' ' ' ILE . 28.6 ttmt -98.32 132.3 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 21.4 m-85 -101.43 161.43 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -151.89 117.73 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.51 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.8 t-80 -147.5 130.63 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 45.03 33.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' CE ' ' A' ' 19' ' ' LYS . . . 93.38 -32.74 5.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.524 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.16 156.8 20.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -141.73 146.22 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -153.46 117.27 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.793 ' C ' HD22 ' A' ' 22' ' ' LEU . 81.9 mt -95.12 145.44 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.3 mm? -130.81 -179.84 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -138.59 111.88 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 74.3 m-85 -116.4 112.0 41.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.693 0.759 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 115.47 4.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.565 ' HG2' HG23 ' A' ' 28' ' ' VAL . 21.2 mtp180 -53.53 145.54 28.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.682 ' HB2' ' HZ1' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.76 147.61 85.01 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.353 -0.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.565 HG23 ' HG2' ' A' ' 26' ' ' ARG . 40.9 t -90.17 141.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.682 ' HZ1' ' HB2' ' A' ' 27' ' ' PRO . 11.1 mmtm -111.17 125.38 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 64' ' ' LEU . 53.9 tp -48.52 -43.28 35.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -59.53 -40.22 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 9.9 t0 -57.81 -55.37 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 11' ' ' VAL . 9.8 mt -47.51 -47.49 27.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -64.56 -53.01 54.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -43.82 -59.75 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 23.0 mmmt -51.91 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -48.15 -32.93 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -73.23 -35.85 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -77.59 -35.17 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.97 64.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -88.55 -38.34 14.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.38 7.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -160.23 148.51 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 p -73.77 116.31 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 84' ' ' LEU . 7.4 ptp -137.92 146.88 43.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.84 163.45 28.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -119.28 102.75 8.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -108.12 110.73 22.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CB ' HD13 ' A' ' 82' ' ' ILE . 1.8 p90 -105.75 128.42 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.913 HG22 HG22 ' A' ' 55' ' ' VAL . 31.0 p -95.89 125.94 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -70.82 -58.67 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -134.25 -59.25 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.35 -31.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.26 178.64 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.913 HG22 HG22 ' A' ' 50' ' ' THR . 79.7 t -129.78 128.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -114.65 106.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.7 100.91 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.87 101.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p -115.28 -41.25 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.4 p -111.9 153.26 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.505 HE21 HD23 ' A' ' 64' ' ' LEU . 2.1 tm0? -52.89 -46.92 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -42.6 -44.52 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.22 -49.71 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.3 tp -54.58 -56.46 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.45 -38.14 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -76.94 -20.47 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.18 -25.24 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -85.01 -30.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -75.68 -38.25 58.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -72.0 -30.72 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 80' ' ' LEU . 6.9 tp -66.28 -51.14 60.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.22 -58.94 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 74' ' ' SER . 12.6 ptm180 -53.85 -39.67 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.3 m -58.86 117.87 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.97 -44.83 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -62.14 -40.51 96.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.464 ' HE3' ' HA ' ' A' ' 80' ' ' LEU . 2.3 ttp -76.19 132.51 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -53.36 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -127.91 167.84 16.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.603 ' HB2' HD22 ' A' ' 71' ' ' LEU . 13.3 tp -85.05 104.22 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -67.58 122.64 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.804 ' C ' HD22 ' A' ' 83' ' ' LEU . 24.6 mm -120.14 145.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.5 mm? -125.44 105.55 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD13 ' SD ' ' A' ' 45' ' ' MET . 48.3 mt -74.83 126.83 31.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.8 t -124.87 122.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 15' ' ' HIS . 28.9 mm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 95.2 t -114.17 94.71 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -61.13 125.42 23.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 33' ' ' LEU . 87.0 t -125.92 105.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.565 ' HD2' HD11 ' A' ' 21' ' ' ILE . 24.9 tttt -85.4 123.34 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.681 ' CE2' HD13 ' A' ' 22' ' ' LEU . 16.0 m-85 -93.91 160.96 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -148.27 136.19 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -157.96 107.34 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 38.96 53.61 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.82 -39.16 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 145.09 53.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -143.54 147.66 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -153.76 116.96 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.565 HD11 ' HD2' ' A' ' 12' ' ' LYS . 68.8 mt -90.78 131.71 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.1 mp -117.9 169.95 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -137.55 111.4 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 85.4 m-85 -118.95 112.05 36.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.8 2.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.641 ' HG2' HG23 ' A' ' 28' ' ' VAL . 26.7 mtp180 -46.14 148.07 1.63 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.7 140.01 57.82 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.387 -0.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.699 HG12 HD21 ' A' ' 64' ' ' LEU . 93.5 t -83.99 140.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ASP . 21.1 mmtp -112.85 114.11 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 59' ' ' THR . 21.9 tp -39.02 -47.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 6.6 pt-20 -55.12 -43.05 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 13.7 t0 -56.54 -51.59 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 11' ' ' VAL . 6.7 mt -51.0 -47.31 61.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -64.45 -55.32 21.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -41.6 -60.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HB3' HD21 ' A' ' 22' ' ' LEU . 24.2 mmmt -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -45.01 -30.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLY . 30.1 tttm -77.88 -36.61 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mt -74.84 -29.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -48.43 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -90.11 -45.66 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 113.14 0.53 25.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -125.32 157.44 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.76 36.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.874 ' HG3' HD22 ' A' ' 84' ' ' LEU . 4.9 ptp -45.19 142.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.13 163.34 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.3 mp -117.79 103.25 9.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.433 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -111.71 110.6 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.723 ' HB3' HD13 ' A' ' 82' ' ' ILE . 1.9 p90 -103.65 139.61 38.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.574 HG22 HG22 ' A' ' 55' ' ' VAL . 12.8 p -108.41 135.01 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -86.54 -75.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -108.44 -75.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.95 13.29 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -116.9 -177.77 3.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.574 HG22 HG22 ' A' ' 50' ' ' THR . 59.7 t -135.09 133.72 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.0 mp -128.24 109.34 19.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 106.64 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.26 95.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' HD21 ' A' ' 30' ' ' LEU . 20.0 p -106.97 -46.69 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.5 p -110.7 158.82 18.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.58 -42.48 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -67.41 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.699 HD21 HG12 ' A' ' 28' ' ' VAL . 27.3 tp -56.25 -49.29 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.27 -40.66 74.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -75.27 -20.34 59.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -86.07 -32.02 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 64' ' ' LEU . 42.5 t -80.73 -42.92 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -63.93 -32.48 74.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -76.32 -32.06 58.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.12 -53.97 37.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.75 -54.33 39.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.66 -35.32 79.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -69.33 100.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.62 -52.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -45.91 -50.75 14.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.87 158.26 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -111.01 -55.34 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.9 p -136.79 176.83 8.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.6 tp -87.08 94.67 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -63.19 123.33 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 49' ' ' TYR . 12.2 mm -122.24 143.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -117.89 106.65 13.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.874 HD22 ' HG3' ' A' ' 45' ' ' MET . 84.5 mt -74.93 117.0 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.6 127.87 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.588 HG23 ' HG3' ' A' ' 26' ' ' ARG . 93.5 t -115.75 102.17 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -67.07 114.7 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.839 HG21 HD21 ' A' ' 33' ' ' LEU . 94.6 t -112.21 114.48 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.519 ' HD3' HD11 ' A' ' 21' ' ' ILE . 3.4 ttpm? -90.53 127.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.2 m-85 -98.32 158.97 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 83' ' ' LEU . 7.8 mt-10 -150.31 121.0 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.634 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 4.8 t60 -147.81 112.36 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HD2' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER 52.03 41.11 29.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.18 -35.62 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.06 150.8 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -132.21 149.04 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 17.3 mmt180 -148.17 116.35 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.534 ' C ' HD12 ' A' ' 22' ' ' LEU . 5.4 mm -91.79 141.61 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.3 mp -133.25 166.71 21.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -133.7 115.89 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 87.7 m-85 -124.03 111.36 28.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.725 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 110.08 2.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.588 ' HG3' HG23 ' A' ' 9' ' ' VAL . 54.0 mtm180 -49.45 147.01 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 131.97 20.84 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.353 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 26' ' ' ARG . 48.9 t -75.75 144.11 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -108.3 122.03 46.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.64 ' HA ' HD22 ' A' ' 64' ' ' LEU . 57.0 tp -50.23 -43.1 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.68 -39.69 94.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -48.96 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.839 HD21 HG21 ' A' ' 11' ' ' VAL . 6.5 mt -53.29 -48.83 68.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -62.94 -54.55 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -44.8 -56.75 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.587 ' HB3' HD21 ' A' ' 22' ' ' LEU . 1.3 mmmp? -53.62 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -42.98 -36.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.4 ttpt -69.99 -38.0 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 36' ' ' LYS . 18.6 mt -74.48 -38.67 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.31 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 32.9 m-85 -87.73 -36.22 17.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.67 26.34 17.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -151.7 148.03 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 m -75.82 120.75 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.669 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.9 ptp -142.34 150.52 40.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.04 163.66 26.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.1 mp -117.77 102.88 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.6 m80 -106.84 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -104.0 133.7 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.685 HG22 HG22 ' A' ' 55' ' ' VAL . 31.1 p -103.44 137.7 41.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.8 t30 -87.55 -72.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -120.37 -68.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -134.27 32.56 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mt -144.27 169.11 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 50' ' ' THR . 56.4 t -122.34 134.4 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.6 mp -124.72 107.58 28.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.75 94.59 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -55.93 98.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' HD21 ' A' ' 30' ' ' LEU . 18.7 p -116.36 -35.67 4.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.471 ' C ' HD22 ' A' ' 30' ' ' LEU . 67.6 p -115.27 157.81 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.5 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.3 -42.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -64.62 -52.28 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD22 ' HA ' ' A' ' 30' ' ' LEU . 23.5 tp -57.7 -55.19 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -53.44 -38.04 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -77.18 -23.61 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -82.04 -37.13 26.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 64' ' ' LEU . 61.6 t -73.42 -36.81 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.01 -41.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.82 -32.8 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 80' ' ' LEU . 9.6 tp -63.15 -54.87 30.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.28 -59.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.6 ptm180 -53.5 -42.89 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 4.2 t -52.41 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.44 -54.09 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -59.38 -51.13 71.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -66.48 125.42 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -93.91 -48.76 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.3 p -125.98 175.25 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB2' HD22 ' A' ' 71' ' ' LEU . 14.6 tp -93.09 95.29 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -60.66 131.94 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.728 ' C ' HD22 ' A' ' 83' ' ' LEU . 28.0 mm -129.01 140.85 48.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.7 mm? -118.33 104.42 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.669 HD22 ' HG3' ' A' ' 45' ' ' MET . 78.6 mt -74.75 131.71 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.9 139.03 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -105.07 105.29 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.86 109.92 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.924 HG21 HD21 ' A' ' 33' ' ' LEU . 92.5 t -113.5 125.15 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 18.8 ttmt -105.56 132.85 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 23.6 m-85 -104.38 153.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -143.64 130.63 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -154.69 105.38 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 45.88 42.04 8.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.07 -32.24 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 121.62 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -122.48 139.26 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -154.41 120.21 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.784 ' C ' HD22 ' A' ' 22' ' ' LEU . 93.7 mt -98.25 145.74 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.784 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.1 mm? -131.8 179.6 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -139.08 111.24 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 67.2 m-85 -112.51 111.46 52.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.7 116.84 4.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 27.6 mtm105 -56.48 147.49 49.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 128.95 13.45 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.358 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 64.5 t -77.89 140.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -107.8 136.92 46.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 64' ' ' LEU . 61.5 tp -56.73 -50.22 72.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -54.53 -38.4 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 14.1 t0 -57.79 -51.84 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.924 HD21 HG21 ' A' ' 11' ' ' VAL . 9.0 mt -51.11 -47.35 61.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG2' HD13 ' A' ' 47' ' ' LEU . 49.1 mtp180 -65.74 -46.45 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -47.79 -56.88 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 31.9 mmmt -53.96 -64.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -45.04 -32.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 31.6 tttp -76.81 -34.37 57.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.6 mt -75.75 -38.55 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.99 -48.15 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -87.16 -39.43 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.68 25.64 24.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -150.54 145.51 26.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.5 t -73.25 120.8 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.9 ' SD ' HD13 ' A' ' 84' ' ' LEU . 7.6 ptp -141.81 153.18 44.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -76.41 163.54 26.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.4 mp -121.19 99.68 6.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.435 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -105.29 110.68 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 67' ' ' ALA . 2.0 p90 -105.38 136.8 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.846 HG22 HG22 ' A' ' 55' ' ' VAL . 46.8 p -103.72 142.9 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -95.79 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -128.46 -69.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -131.78 29.1 4.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mt -145.38 163.26 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 50' ' ' THR . 73.5 t -118.1 132.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -120.21 105.93 41.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.72 97.45 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.2 mt -56.73 98.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' PRO . 49.0 p -110.64 -42.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.468 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.4 p -117.27 160.33 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -56.62 -46.8 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -40.71 -44.86 2.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.2 -52.89 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.6 tp -52.33 -54.48 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -51.3 -38.17 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.44 -25.08 50.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -84.07 -27.93 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 64' ' ' LEU . 85.6 t -80.05 -38.86 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.0 pt-20 -65.21 -39.37 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.45 -27.34 63.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 14.9 tp -66.8 -46.98 73.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -58.52 -51.37 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.97 -38.75 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.2 p -66.74 115.07 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -80.77 -64.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -43.3 -38.83 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.471 ' HE2' ' HA ' ' A' ' 71' ' ' LEU . 3.2 ttt -67.52 96.37 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -54.34 -44.7 72.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 p -155.19 178.28 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 49' ' ' TYR . 20.4 tp -84.49 96.54 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -63.77 130.66 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.778 ' C ' HD22 ' A' ' 83' ' ' LEU . 29.1 mm -124.18 145.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.6 mm? -123.55 105.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.9 HD13 ' SD ' ' A' ' 45' ' ' MET . 74.5 mt -74.82 131.83 41.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.22 119.66 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 11' ' ' VAL . 93.3 t -108.62 90.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -53.8 130.87 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.861 HG21 HD21 ' A' ' 33' ' ' LEU . 42.3 t -132.44 109.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HE2' HD11 ' A' ' 21' ' ' ILE . 25.9 ttmt -92.45 114.45 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.744 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.4 m-85 -85.82 155.14 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -148.75 117.69 6.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -134.01 91.61 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 43.95 51.79 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.49 -41.41 2.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.13 116.01 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.365 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -115.67 134.9 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.95 117.15 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.677 HD11 ' HE2' ' A' ' 12' ' ' LYS . 58.7 mt -90.64 138.72 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 13' ' ' PHE . 8.1 mp -125.48 166.03 17.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -138.24 116.42 11.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.4 m-85 -121.4 113.45 32.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.668 0.747 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.14 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.5 mtp-105 -47.51 147.71 2.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.85 139.33 54.25 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.646 HG12 HD21 ' A' ' 64' ' ' LEU . 80.5 t -88.86 141.0 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -112.74 136.8 51.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 64' ' ' LEU . 56.2 tp -57.53 -43.73 84.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.36 -37.55 86.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -48.03 83.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.861 HD21 HG21 ' A' ' 11' ' ' VAL . 5.9 mt -55.69 -50.1 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.657 ' HG2' HD13 ' A' ' 47' ' ' LEU . 72.4 mtp180 -61.32 -53.03 61.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -42.75 -56.67 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 1.3 mmmp? -54.9 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -43.54 -32.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.3 tttt -75.88 -33.87 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt -77.64 -40.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.62 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.04 -21.18 19.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 72.22 12.4 76.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.903 ' HG3' ' HE3' ' A' ' 45' ' ' MET . 2.0 pt20 -137.86 133.71 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 129.11 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.903 ' HE3' ' HG3' ' A' ' 43' ' ' GLN . 3.6 ptp -150.45 146.09 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.37 163.68 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.657 HD13 ' HG2' ' A' ' 34' ' ' ARG . 10.1 mp -117.84 108.76 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -114.14 110.92 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -103.16 137.48 41.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.699 HG22 HG22 ' A' ' 55' ' ' VAL . 9.9 p -105.43 122.64 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -71.24 -62.18 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -125.8 -75.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.83 -15.5 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.97 -178.35 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 50' ' ' THR . 61.8 t -135.01 131.35 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -121.73 110.22 33.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 105.46 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 16.7 mt -61.96 91.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 p -106.83 -40.37 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -117.22 154.19 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -51.38 -46.77 62.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -40.24 -41.9 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.98 -49.46 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.646 HD21 HG12 ' A' ' 28' ' ' VAL . 33.1 tp -56.61 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.51 -39.38 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -75.49 -20.8 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -87.5 -32.88 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 64' ' ' LEU . 69.2 t -79.37 -33.35 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.84 -36.11 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -74.21 -31.85 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 71' ' ' LEU . 3.4 tp -62.79 -49.22 75.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.51 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -53.79 -30.34 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.6 p -82.81 113.04 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' HIS . 37.4 mm -73.57 -71.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ILE . 4.2 p80 -34.54 -42.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 tpp -59.42 108.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.22 -42.04 99.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -167.1 -178.69 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.562 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.2 tp -83.88 94.63 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -62.39 129.88 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.721 ' C ' HD22 ' A' ' 83' ' ' LEU . 17.1 mm -125.23 145.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.0 mm? -121.92 107.78 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' HG3' ' A' ' 45' ' ' MET . 56.6 mt -74.86 130.58 39.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.94 119.73 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.6 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG22 ' HE ' ' A' ' 26' ' ' ARG . 83.9 t -115.8 90.09 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.27 126.75 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.812 HG21 HD21 ' A' ' 33' ' ' LEU . 93.9 t -124.82 116.94 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HD3' HD11 ' A' ' 21' ' ' ILE . 17.9 ttpp -95.07 113.36 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.81 ' CE2' HD13 ' A' ' 22' ' ' LEU . 11.6 m-85 -85.38 157.8 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.545 ' HB2' HD13 ' A' ' 83' ' ' LEU . 7.6 mt-10 -151.29 119.15 6.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.3 t-80 -145.64 106.41 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 57.16 47.84 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.84 -46.29 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 9.9 mm-40 -62.46 158.14 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -147.69 161.1 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -150.14 116.43 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.511 HD11 ' HD3' ' A' ' 12' ' ' LYS . 5.2 mm -83.99 134.77 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.81 HD13 ' CE2' ' A' ' 13' ' ' PHE . 7.5 mp -127.76 167.27 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -137.78 116.31 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 79.5 m-85 -122.49 111.47 31.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 114.3 3.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.387 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 78.1 mtt180 -50.14 146.93 7.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 131.44 19.29 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.328 -0.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 9' ' ' VAL . 90.5 t -78.97 135.77 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -105.2 135.16 47.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 64' ' ' LEU . 35.5 tp -59.54 -42.46 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.0 pt-20 -61.26 -35.58 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 1.2 m-20 -62.76 -46.47 87.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.812 HD21 HG21 ' A' ' 11' ' ' VAL . 7.4 mt -56.49 -47.44 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -65.59 -55.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -43.75 -57.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HB3' HD21 ' A' ' 22' ' ' LEU . 6.6 mmmm -53.79 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -45.08 -38.02 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.1 tttm -68.79 -36.28 78.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.41 -38.76 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.03 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.47 -38.08 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.38 27.15 16.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -153.0 144.36 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -71.75 123.63 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.796 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.9 ptp -144.22 146.21 32.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.94 163.7 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.8 mp -120.02 99.84 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -106.04 110.81 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -103.33 136.12 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 HG22 ' A' ' 55' ' ' VAL . 43.7 p -105.78 138.41 42.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 9.4 t-20 -89.7 -71.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -120.17 -69.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 54' ' ' LEU . 17.2 mt-10 -133.28 30.33 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 53' ' ' GLU . 80.5 mt -140.04 173.0 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 50' ' ' THR . 72.3 t -127.86 127.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.0 mp -116.59 105.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.02 97.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.3 p -109.24 -44.24 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -112.14 160.6 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -58.04 -48.02 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -38.63 -43.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.94 -54.24 33.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 30' ' ' LEU . 24.5 tp -49.16 -51.69 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.12 -42.72 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -74.14 -21.62 59.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -82.57 -35.76 26.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' LEU . 65.4 t -76.03 -37.86 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -67.28 -43.74 81.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -65.09 -35.46 81.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 80' ' ' LEU . 10.7 tp -60.06 -56.31 23.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -47.85 -59.96 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.3 ptm180 -52.87 -38.88 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.8 t -60.76 109.6 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mt -73.53 -59.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -50.37 -52.15 39.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttt -57.92 133.43 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.8 m -131.1 -178.98 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.516 ' HB2' HD22 ' A' ' 71' ' ' LEU . 17.3 tp -83.77 102.37 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -69.12 126.07 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.749 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.9 mm -123.18 142.57 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -121.27 107.1 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.796 HD22 ' HG3' ' A' ' 45' ' ' MET . 38.2 mt -74.73 130.43 39.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.5 t -128.95 118.31 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.49 HG12 ' CE1' ' A' ' 15' ' ' HIS . 33.5 mm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.426 ' CG2' HG21 ' A' ' 28' ' ' VAL . 84.0 t -98.96 101.91 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -64.32 111.51 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.879 HG21 HD21 ' A' ' 33' ' ' LEU . 87.4 t -114.58 120.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -98.07 132.09 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 17.3 m-85 -102.08 157.99 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -146.53 131.73 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -157.01 117.11 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 42.9 43.38 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.64 -34.25 4.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -62.03 145.82 52.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -136.02 149.1 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -157.22 116.28 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.544 ' C ' HD22 ' A' ' 22' ' ' LEU . 72.4 mt -96.59 128.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD23 ' CE2' ' A' ' 13' ' ' PHE . 2.7 mm? -111.55 -179.04 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -139.27 115.52 10.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 53.3 m-85 -118.57 110.69 38.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.75 117.56 5.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 26.3 mtm180 -54.78 147.06 33.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.78 130.82 17.6 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 85.8 t -80.34 138.09 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -108.73 142.95 38.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.573 ' HA ' HD22 ' A' ' 64' ' ' LEU . 40.8 tp -62.94 -40.52 97.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.3 pt-20 -60.67 -39.1 87.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 2.5 m-20 -58.46 -52.03 67.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.879 HD21 HG21 ' A' ' 11' ' ' VAL . 14.1 mt -48.66 -45.86 39.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.46 -52.48 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -45.45 -57.82 3.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 28.9 mmmt -55.54 -63.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -46.18 -28.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 42' ' ' GLY . 76.1 tttt -80.67 -32.66 35.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 36' ' ' LYS . 22.2 mt -76.28 -33.94 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.89 -44.33 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -95.7 -42.65 8.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 103.26 31.5 4.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.547 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.416 ' C ' ' HG3' ' A' ' 38' ' ' LYS . 21.8 mt-30 -152.08 154.67 36.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -82.95 38.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.44 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.1 ptp -49.75 155.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.13 163.38 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.8 mp -121.89 100.85 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.8 m80 -109.13 112.19 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.648 ' CB ' HD13 ' A' ' 82' ' ' ILE . 1.8 p90 -105.51 132.61 51.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.628 HG22 HG22 ' A' ' 55' ' ' VAL . 44.2 p -101.47 141.38 34.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.8 t-20 -92.33 -71.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -121.83 -70.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -132.28 30.25 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -141.3 172.24 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 HG22 ' A' ' 50' ' ' THR . 48.1 t -126.95 130.6 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -121.78 106.3 37.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 30' ' ' LEU . 7.6 mt -54.53 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -111.82 -46.69 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.495 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.3 p -111.53 162.35 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.453 ' OE1' HD23 ' A' ' 64' ' ' LEU . 5.8 tp-100 -58.9 -47.6 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -40.76 -42.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -63.46 -52.84 59.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.573 HD22 ' HA ' ' A' ' 30' ' ' LEU . 20.9 tp -53.38 -56.19 18.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.25 -37.48 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -78.67 -20.83 49.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -87.93 -24.1 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 64' ' ' LEU . 79.2 t -86.05 -37.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.44 -34.78 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.774 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -74.5 -40.78 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 80' ' ' LEU . 7.5 tp -57.1 -49.64 75.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -62.36 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -54.08 -39.0 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -54.54 128.26 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.0 mm -86.29 -62.19 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -49.28 -51.72 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 ttp -61.68 135.81 57.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -99.61 -49.62 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 p -131.81 179.59 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.673 ' HB2' HD22 ' A' ' 71' ' ' LEU . 17.3 tp -91.44 96.97 10.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -60.91 126.91 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.801 ' C ' HD22 ' A' ' 83' ' ' LEU . 22.9 mm -124.05 150.21 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -128.47 105.07 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 13' ' ' PHE . 34.3 mt -74.86 125.88 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.2 t -127.43 117.16 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.7 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 11' ' ' VAL . 98.6 t -110.13 87.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -51.48 111.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 9' ' ' VAL . 90.4 t -117.88 134.34 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 1.5 ttmp? -112.63 137.51 50.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE2' HD23 ' A' ' 22' ' ' LEU . 50.8 m-85 -107.02 157.62 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.535 ' HB2' HD13 ' A' ' 83' ' ' LEU . 11.5 mt-10 -151.87 130.43 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -158.26 114.78 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 46.35 40.66 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.49 -38.53 3.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.94 127.35 30.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.76 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.3 mmp_? -150.47 133.13 15.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.852 ' C ' HD22 ' A' ' 22' ' ' LEU . 69.6 mt -103.5 146.38 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.852 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.4 mm? -131.41 -178.8 5.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -138.75 111.91 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 63.1 m-85 -113.87 111.19 48.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 0.0 110.838 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.2 Cg_endo -69.77 117.01 4.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 62.4 mtt180 -52.37 146.34 16.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 144.76 77.46 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 -1.786 . . . . 0.0 112.351 -0.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.673 HG21 HG21 ' A' ' 9' ' ' VAL . 58.2 t -84.79 137.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -111.15 129.74 55.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 tp -54.18 -41.43 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -57.53 -50.94 71.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 11' ' ' VAL . 8.6 mt -51.53 -46.01 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -66.95 -55.46 14.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.05 -56.0 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 30.5 mmmt -52.13 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.19 -31.38 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -77.16 -31.42 55.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.2 mt -83.48 -27.84 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.13 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -90.27 -36.21 14.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.18 42.01 5.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -166.91 145.42 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -73.93 121.75 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.662 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.1 ptp -142.52 142.52 32.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 163.55 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -121.51 100.18 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -106.71 110.5 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.677 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 p90 -104.62 135.64 45.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.519 HG22 HG22 ' A' ' 55' ' ' VAL . 28.4 p -105.28 139.17 40.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.41 ' OD1' ' ND2' ' A' ' 52' ' ' ASN . 9.7 t30 -90.45 -62.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.41 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 1.7 m-80 -132.84 -70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 54' ' ' LEU . 15.1 mt-10 -129.8 28.54 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 53' ' ' GLU . 72.7 mt -141.24 169.68 17.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 50' ' ' THR . 21.7 t -126.66 129.44 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.9 mp -119.0 106.01 44.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.7 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.22 99.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.5 p -108.42 -44.49 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -121.62 164.11 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -53.93 -44.93 71.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -41.88 -47.17 4.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -60.82 -54.03 50.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.495 HD21 HG12 ' A' ' 28' ' ' VAL . 27.3 tp -53.46 -55.09 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.91 -37.39 31.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -80.58 -17.59 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -91.74 -22.63 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 HD12 ' A' ' 64' ' ' LEU . 85.1 t -88.5 -32.65 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -71.23 -37.5 72.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -68.42 -39.18 81.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.04 -51.04 70.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.19 -62.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 2.1 ptm85 -53.21 -34.94 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' CE1' ' A' ' 76' ' ' HIS . 8.6 t -74.32 97.9 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.38 -60.61 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' OG ' ' A' ' 74' ' ' SER . 6.8 p80 -44.04 -42.77 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.37 131.18 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -94.82 -41.67 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.0 p -153.29 179.21 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 49' ' ' TYR . 11.4 tp -101.93 91.2 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.591 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.4 ttmt -53.63 150.78 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.749 ' C ' HD22 ' A' ' 83' ' ' LEU . 21.8 mm -143.9 134.49 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.1 mm? -116.94 105.37 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.662 HD22 ' HG3' ' A' ' 45' ' ' MET . 6.5 mt -74.8 133.14 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' ILE . 83.4 t -128.21 116.33 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' VAL . 44.2 mm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 26' ' ' ARG . 88.1 t -117.66 101.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.523 ' HG2' HG23 ' A' ' 21' ' ' ILE . 9.3 ttm180 -66.61 119.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.872 HG21 HD21 ' A' ' 33' ' ' LEU . 90.1 t -119.97 110.03 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -94.82 119.8 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 22' ' ' LEU . 27.4 m-85 -86.63 160.78 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.6 mt-10 -150.95 111.1 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -135.33 103.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 59.3 mtp85 52.46 54.97 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 -42.94 3.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -61.4 147.9 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 110.881 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 152.66 38.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -152.5 116.19 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.523 HG23 ' HG2' ' A' ' 10' ' ' ARG . 4.6 mp -84.05 133.12 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.62 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -119.28 172.18 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -138.41 115.41 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 36' ' ' LYS . 88.1 m-85 -123.52 112.55 29.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 111.05 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.8 mtp-105 -50.43 145.98 9.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.77 135.62 34.75 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.332 0.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.607 HG12 HD21 ' A' ' 64' ' ' LEU . 73.4 t -83.54 137.81 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -103.24 126.9 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.721 ' HA ' HD22 ' A' ' 64' ' ' LEU . 38.9 tp -50.87 -40.92 57.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -62.78 -39.58 94.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -58.29 -48.37 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.872 HD21 HG21 ' A' ' 11' ' ' VAL . 7.5 mt -54.7 -46.05 74.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -67.14 -55.79 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -43.12 -55.85 3.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HB3' HD21 ' A' ' 22' ' ' LEU . 6.8 mmmm -55.0 -64.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -44.17 -35.33 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.2 tttt -70.55 -37.81 74.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -75.86 -35.95 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.79 -49.75 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.25 -38.82 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.29 42.45 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -168.41 144.15 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.7 p -69.21 117.85 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.754 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.8 ptp -140.86 146.26 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.26 162.74 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -117.76 98.62 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -104.13 110.75 23.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.664 ' HB3' HD13 ' A' ' 82' ' ' ILE . 1.7 p90 -105.35 137.25 43.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 55' ' ' VAL . 30.8 p -103.75 144.01 32.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.0 t30 -96.91 -61.98 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.09 -70.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -130.99 28.2 4.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mt -143.16 166.55 24.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 50' ' ' THR . 21.3 t -121.95 131.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.2 mp -120.43 105.96 40.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 98.08 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.59 100.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.433 ' O ' HD21 ' A' ' 30' ' ' LEU . 41.0 p -109.84 -41.52 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.604 ' C ' HD22 ' A' ' 30' ' ' LEU . 63.0 p -118.47 160.21 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.463 ' OE1' HD23 ' A' ' 64' ' ' LEU . 4.4 mm-40 -54.88 -48.66 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -38.3 -43.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.85 -49.61 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 30' ' ' LEU . 25.6 tp -57.5 -55.28 36.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -51.08 -41.54 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.15 -18.34 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.07 -30.33 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 64' ' ' LEU . 57.6 t -80.63 -33.53 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.17 -36.28 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -72.97 -39.51 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 80' ' ' LEU . 5.1 tp -58.03 -51.33 70.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.25 -62.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -52.3 -40.65 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -56.63 121.74 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt -83.18 -49.83 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -60.13 -44.54 94.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.71 134.74 53.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -96.48 -54.25 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.7 p -134.05 174.36 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.526 ' HB2' HD22 ' A' ' 71' ' ' LEU . 25.5 tp -86.48 97.92 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -63.26 118.78 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.8 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.3 mm -116.83 149.32 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.8 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.2 mm? -127.2 107.68 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.754 HD13 ' SD ' ' A' ' 45' ' ' MET . 86.7 mt -75.34 124.86 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.85 122.97 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG23 ' HG3' ' A' ' 26' ' ' ARG . 89.9 t -104.32 100.99 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.2 108.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.857 HG21 HD21 ' A' ' 33' ' ' LEU . 93.5 t -112.86 118.7 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -99.99 131.69 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' HE1' HG21 ' A' ' 82' ' ' ILE . 40.0 m-85 -103.09 162.28 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -150.73 113.64 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.448 ' CE1' HG12 ' A' ' 86' ' ' ILE . 11.8 t-80 -135.55 118.66 16.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 46.94 49.83 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.0 -40.74 3.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.27 157.02 23.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.955 0.407 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 153.38 38.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -154.34 118.47 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.859 ' C ' HD22 ' A' ' 22' ' ' LEU . 58.3 mt -91.4 146.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.4 mm? -132.05 -179.56 5.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -138.66 110.11 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.7 m-85 -113.31 111.86 49.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.0 Cg_endo -69.77 115.7 4.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 25.5 mtm105 -54.42 146.96 30.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 136.51 39.13 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.345 -0.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.493 HG12 HD21 ' A' ' 64' ' ' LEU . 75.1 t -83.23 137.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -107.44 126.84 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.629 ' HA ' HD22 ' A' ' 64' ' ' LEU . 27.6 tp -49.35 -40.09 34.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.9 pt-20 -60.92 -43.66 98.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 23.4 m-20 -56.06 -51.79 66.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.857 HD21 HG21 ' A' ' 11' ' ' VAL . 10.1 mt -48.91 -43.67 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HG2' HD13 ' A' ' 47' ' ' LEU . 64.6 mtp85 -68.53 -54.06 19.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -43.86 -56.7 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 29.3 mmmt -52.89 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.05 -35.64 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.8 ttpt -73.42 -33.08 64.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.2 mt -77.19 -38.12 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -93.55 -36.01 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.05 27.85 19.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -150.37 149.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.5 m -78.06 114.4 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.426 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -134.63 150.15 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' C ' HD12 ' A' ' 47' ' ' LEU . 1.1 m-20 -73.59 163.51 27.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -119.57 100.84 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -107.23 110.8 22.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.89 141.48 37.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.525 HG22 HG22 ' A' ' 55' ' ' VAL . 22.4 p -112.13 117.84 33.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.73 -72.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -126.6 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -131.18 29.76 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -143.8 153.43 42.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.525 HG22 HG22 ' A' ' 50' ' ' THR . 65.6 t -103.95 138.64 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 9.4 mt -138.23 108.59 8.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 104.82 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 64' ' ' LEU . 6.1 mt -63.49 102.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.519 ' O ' HD21 ' A' ' 30' ' ' LEU . 32.0 p -121.97 -41.7 2.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -104.73 142.57 34.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -47.91 -44.51 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.49 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 30' ' ' LEU . 17.0 tp -59.39 -58.98 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.61 -43.03 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -76.75 -14.91 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.577 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -90.36 -30.9 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 HD12 ' A' ' 64' ' ' LEU . 72.7 t -79.1 -34.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.2 pt-20 -71.1 -37.76 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.6 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.65 -29.43 67.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -69.06 -46.77 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -58.37 -58.32 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.4 ptt85 -55.14 -28.06 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -62.35 129.33 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.78 -41.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -72.55 -49.67 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.7 mtp -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -126.02 -39.73 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.8 p -142.29 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 49' ' ' TYR . 23.2 tp -90.3 97.47 11.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.97 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.467 ' O ' HD13 ' A' ' 82' ' ' ILE . 71.6 tttt -63.24 126.94 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.805 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.4 mm -123.32 148.18 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.805 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.7 mm? -125.77 104.65 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 13' ' ' PHE . 29.7 mt -74.74 127.86 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.82 120.88 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.448 HG12 ' CE1' ' A' ' 15' ' ' HIS . 31.7 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.659 HG23 ' HG3' ' A' ' 26' ' ' ARG . 91.8 t -112.02 104.82 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -68.1 107.08 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.683 HG21 HD21 ' A' ' 33' ' ' LEU . 99.2 t -107.71 123.28 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -102.39 120.33 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CD2' HD23 ' A' ' 22' ' ' LEU . 44.2 m-85 -98.48 141.98 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -136.14 134.28 38.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.469 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.5 t-80 -157.46 122.94 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 41.59 44.25 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.58 -32.88 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' HIS . 29.5 mt-10 -62.61 130.14 43.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -123.07 139.65 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmt-85 -151.96 119.55 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.798 ' C ' HD22 ' A' ' 22' ' ' LEU . 82.7 mt -100.52 142.87 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.3 mm? -128.24 -176.86 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.39 112.5 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 80.8 m-85 -114.98 111.39 45.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.759 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.77 110.59 2.6 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HG3' HG23 ' A' ' 9' ' ' VAL . 65.4 mtm180 -49.5 146.44 6.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 145.48 79.57 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.405 HG23 ' HG2' ' A' ' 26' ' ' ARG . 44.6 t -87.9 141.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -108.61 129.37 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 59' ' ' THR . 64.6 tp -53.2 -45.24 68.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.77 -37.83 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.67 -46.17 89.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.683 HD21 HG21 ' A' ' 11' ' ' VAL . 8.4 mt -56.84 -48.56 77.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HG2' HD13 ' A' ' 47' ' ' LEU . 46.8 mtp180 -64.2 -48.69 74.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -46.39 -54.83 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 32.7 mmmt -56.57 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -80.7 -30.82 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.6 mt -82.21 -36.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.19 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -89.86 -40.79 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.39 42.31 4.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -167.45 149.74 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -75.25 117.72 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.673 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.6 ptp -141.75 142.35 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.97 163.43 24.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.27 105.52 11.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.6 m80 -110.59 110.46 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CB ' HD13 ' A' ' 82' ' ' ILE . 2.3 p90 -104.26 126.45 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 1.005 HG22 HG22 ' A' ' 55' ' ' VAL . 53.0 p -94.7 118.65 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 16.2 t-20 -63.5 -70.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -121.58 -59.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.07 -31.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.005 HG22 HG22 ' A' ' 50' ' ' THR . 52.3 t -129.55 130.66 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.0 mp -116.61 106.24 48.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.7 101.71 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' A' ' 64' ' ' LEU . 7.1 mt -62.97 101.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.53 ' O ' HD21 ' A' ' 30' ' ' LEU . 38.6 p -113.0 -44.96 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.499 ' C ' HD22 ' A' ' 30' ' ' LEU . 58.9 p -112.39 154.8 25.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.64 -47.28 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -40.73 -44.03 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -63.35 -50.11 71.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.7 tp -54.54 -56.84 14.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.48 -38.89 31.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -79.02 -20.9 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -85.42 -29.06 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 64' ' ' LEU . 90.1 t -81.95 -34.92 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -72.26 -41.57 66.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -66.47 -29.1 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.78 -51.22 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.01 -54.5 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.6 ptt180 -58.04 -37.07 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -67.18 128.37 36.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.31 -47.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -55.94 -39.56 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -85.14 118.74 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -33.1 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.9 p -139.04 164.32 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 49' ' ' TYR . 16.9 tp -86.53 95.09 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -60.21 126.09 26.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.779 ' C ' HD22 ' A' ' 83' ' ' LEU . 31.7 mm -119.64 145.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.1 mm? -127.48 105.83 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.673 HD13 ' SD ' ' A' ' 45' ' ' MET . 50.5 mt -75.0 135.11 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.64 122.69 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.469 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.7 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 28' ' ' VAL . 69.1 t -106.3 99.9 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -62.05 106.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.813 HG21 HD21 ' A' ' 33' ' ' LEU . 87.7 t -112.68 125.81 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 32.6 ttmt -102.27 135.94 42.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 29.4 m-85 -107.44 157.52 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -149.46 123.2 9.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -158.22 125.71 5.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.64 24.97 12.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.82 -32.02 6.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.06 150.08 48.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 150.71 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -153.85 117.89 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 85.8 mt -97.84 128.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.954 HD12 ' HE2' ' A' ' 36' ' ' LYS . 2.3 mm? -110.68 -178.33 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -139.02 118.76 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 26.7 m-85 -118.1 111.12 39.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.97 2.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 28.7 mtm105 -51.66 146.56 13.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.3 Cg_endo -69.83 136.64 39.92 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.331 0.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 26' ' ' ARG . 60.5 t -85.32 139.93 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -111.15 126.8 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' HD22 ' A' ' 64' ' ' LEU . 62.0 tp -44.67 -50.61 9.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.08 -40.83 64.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -56.34 -50.49 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.813 HD21 HG21 ' A' ' 11' ' ' VAL . 10.2 mt -51.37 -47.91 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 47' ' ' LEU . 10.4 mtp-105 -66.0 -42.84 89.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -55.35 -51.79 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.954 ' HE2' HD12 ' A' ' 22' ' ' LEU . 7.5 mmmm -57.53 -60.14 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -49.16 -34.77 15.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.03 -34.75 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -49.57 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -88.02 -36.07 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.89 24.59 29.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -151.41 141.08 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -69.92 119.53 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.714 ' HG3' HD22 ' A' ' 84' ' ' LEU . 4.7 ptp -140.38 153.67 46.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.92 163.55 27.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.1 mp -122.11 101.38 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.4 m80 -107.69 110.63 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -103.56 140.95 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.618 HG22 HG22 ' A' ' 55' ' ' VAL . 37.9 p -108.08 143.35 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.1 t30 -94.31 -65.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.14 -68.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -133.03 24.96 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.3 mt -134.88 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 50' ' ' THR . 39.9 t -129.8 121.09 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.571 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -110.34 105.93 57.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 104.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -118.46 -34.51 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -123.03 157.74 32.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.453 ' OE1' HD23 ' A' ' 64' ' ' LEU . 4.0 tp-100 -55.72 -48.7 74.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.26 -43.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.49 -52.11 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 30' ' ' LEU . 24.2 tp -54.34 -55.11 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -52.17 -39.08 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -80.57 -21.93 41.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.684 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -83.67 -28.71 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 64' ' ' LEU . 89.2 t -80.56 -37.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.8 pt-20 -70.13 -38.19 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.684 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -68.03 -33.63 74.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.92 -52.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -51.72 -62.11 1.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 74' ' ' SER . 10.6 ptm180 -49.92 -39.64 40.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.9 m -62.49 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.9 mt -97.51 -48.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -59.91 -43.87 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ttp -72.28 104.12 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -69.49 -49.71 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.9 p -132.53 178.67 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 49' ' ' TYR . 18.3 tp -91.6 96.52 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -63.9 130.25 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.706 ' C ' HD22 ' A' ' 83' ' ' LEU . 30.4 mm -124.93 141.73 44.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.706 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.5 mm? -119.65 106.66 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.714 HD22 ' HG3' ' A' ' 45' ' ' MET . 84.4 mt -74.86 128.86 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.49 119.65 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -109.58 102.38 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -65.3 123.6 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.881 HG21 HD21 ' A' ' 33' ' ' LEU . 86.7 t -124.28 109.48 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -93.14 119.99 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.674 ' CE2' HD13 ' A' ' 22' ' ' LEU . 23.7 m-85 -88.92 160.47 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.9 mt-10 -151.3 116.0 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.7 t-80 -145.75 131.46 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 40.19 40.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.5 -35.55 3.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' HIS . 28.3 mm-40 -63.93 157.65 24.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG2' ' CG ' ' A' ' 14' ' ' GLU . 40.5 mtpt -144.31 153.73 42.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -154.48 116.22 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 22' ' ' LEU . 98.6 mt -89.68 136.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.674 HD13 ' CE2' ' A' ' 13' ' ' PHE . 10.0 mp -123.2 171.52 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -137.45 116.2 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 73.4 m-85 -124.4 111.33 28.19 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.665 0.745 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 20.6 mtm105 -51.31 146.72 11.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.73 136.3 38.02 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.36 -0.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -82.1 141.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.54 132.99 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.32 -45.7 83.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.94 -36.76 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.84 -49.71 75.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HG21 ' A' ' 11' ' ' VAL . 8.4 mt -54.29 -45.88 72.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 13.2 mtp-105 -68.63 -54.06 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -43.59 -58.01 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HB3' HD21 ' A' ' 22' ' ' LEU . 24.2 mmmt -53.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -43.48 -34.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -72.92 -35.74 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 19.8 mt -76.62 -36.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.18 72.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -88.59 -39.56 14.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.4 26.87 12.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -150.09 150.65 32.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -79.05 108.46 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.7 ptp -129.1 153.28 47.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.57 163.75 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -118.68 107.0 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -112.59 110.22 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.2 p90 -102.12 134.87 44.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 55' ' ' VAL . 55.2 p -104.23 136.78 43.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -88.95 -63.54 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 33.9 m-20 -129.83 -74.87 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' HD23 ' A' ' 54' ' ' LEU . 14.6 mt-10 -126.81 28.39 5.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 53' ' ' GLU . 86.3 mt -140.24 171.07 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 50' ' ' THR . 47.1 t -126.67 124.9 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.9 mp -113.07 105.81 55.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.1 Cg_endo -69.78 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.74 100.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.0 p -116.21 -38.39 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.8 p -118.35 157.1 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -51.7 -49.19 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.47 -42.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.65 -53.99 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.3 tp -52.26 -53.93 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.7 -42.18 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -77.01 -18.76 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -87.3 -30.44 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 64' ' ' LEU . 57.7 t -82.49 -36.57 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.99 -37.78 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.62 -41.78 87.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 80' ' ' LEU . 17.9 tp -60.28 -42.0 94.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.24 -57.76 7.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.34 -33.45 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -58.69 137.35 57.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.33 -53.92 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -60.59 -50.48 73.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -55.7 149.94 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.0 -50.71 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.2 p -134.48 174.75 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.477 ' HG ' HD11 ' A' ' 82' ' ' ILE . 23.6 tp -90.75 96.52 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 82' ' ' ILE . 74.8 tttt -62.63 125.64 24.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.647 ' C ' HD22 ' A' ' 83' ' ' LEU . 30.1 mm -123.88 137.44 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.647 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.1 mm? -115.71 105.36 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 37.7 mt -74.65 126.22 30.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.58 126.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.559 HG12 ' CE1' ' A' ' 15' ' ' HIS . 50.0 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.729 HG21 HG21 ' A' ' 28' ' ' VAL . 93.3 t -105.72 103.05 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -63.11 104.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.588 HG21 HD21 ' A' ' 33' ' ' LEU . 71.2 t -110.5 131.0 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -99.15 124.82 44.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HB3' HD11 ' A' ' 84' ' ' LEU . 13.6 m-85 -106.01 103.45 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -102.14 131.93 48.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.518 ' HB2' HD12 ' A' ' 84' ' ' LEU . 7.2 t-80 -147.72 112.3 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 11.9 mtm105 53.87 51.8 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.91 -39.41 3.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.28 159.59 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.93 147.45 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -149.9 116.42 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.751 ' C ' HD22 ' A' ' 22' ' ' LEU . 5.0 mm -88.99 135.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 ' HE2' ' A' ' 36' ' ' LYS . 3.1 mm? -124.85 -178.26 4.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -138.91 120.62 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 67.9 m-85 -121.44 111.24 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.694 0.759 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.1 Cg_endo -69.72 112.54 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 79.3 mtt180 -54.49 147.67 28.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.742 . . . . 0.0 110.821 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 129.81 15.3 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.305 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.729 HG21 HG21 ' A' ' 9' ' ' VAL . 59.0 t -72.13 134.36 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.642 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.8 139.19 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HA ' HD22 ' A' ' 64' ' ' LEU . 56.1 tp -59.59 -43.84 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.48 -38.03 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.09 -49.54 76.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 11' ' ' VAL . 15.5 mt -52.12 -46.29 65.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -65.53 -46.41 79.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -52.56 -52.66 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.848 ' HE2' HD12 ' A' ' 22' ' ' LEU . 4.9 mmmm -57.21 -59.95 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.34 -33.0 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' GLY . 57.0 tttt -74.98 -35.88 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.85 -34.62 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.93 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -93.13 -38.44 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 93.27 30.21 9.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -152.85 155.17 36.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 m -80.45 119.12 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.574 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -141.64 151.59 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.42 163.72 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.0 mp -118.04 111.51 19.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -116.44 110.53 18.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -105.29 136.15 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 55' ' ' VAL . 18.5 p -102.31 125.69 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.3 t30 -77.73 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -123.26 -75.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -126.76 -4.72 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -103.37 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 50' ' ' THR . 59.7 t -124.6 126.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -115.55 108.24 47.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 59' ' ' THR . 53.9 Cg_endo -69.78 96.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.71 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' PRO . 62.7 p -110.81 -45.59 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -110.32 154.52 23.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -53.12 -45.75 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -40.32 -45.3 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.64 -53.21 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' A' ' 30' ' ' LEU . 16.3 tp -51.42 -53.86 32.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.25 -37.78 48.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 70' ' ' LEU . 13.4 mtpt -75.7 -21.55 57.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -85.58 -35.69 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.3 -36.13 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.4 -42.88 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.547 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.37 -28.92 69.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 80' ' ' LEU . 33.8 tp -72.8 -40.56 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -64.96 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -84.27 -32.24 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -54.34 145.09 18.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.1 mt -109.07 -49.78 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -65.12 -47.05 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 ttp -63.65 140.23 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -97.77 -57.72 2.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 p -132.3 172.0 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 67' ' ' ALA . 14.8 tp -85.93 102.58 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -70.3 130.84 43.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.771 ' C ' HD22 ' A' ' 83' ' ' LEU . 39.9 mm -122.8 146.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.0 mm? -125.03 104.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.574 HD13 ' SD ' ' A' ' 45' ' ' MET . 25.8 mt -74.76 137.99 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.36 112.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.1 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 28' ' ' VAL . 91.3 t -99.69 110.41 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -70.22 114.8 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.728 HG21 HD21 ' A' ' 33' ' ' LEU . 85.1 t -119.36 126.39 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 7.4 ttmm -105.49 136.68 44.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.646 ' HE1' HG21 ' A' ' 82' ' ' ILE . 25.7 m-85 -108.45 156.03 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -146.12 127.6 15.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 2.2 t-80 -154.63 117.36 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 44.63 38.65 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.17 -32.91 5.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.16 136.01 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -132.63 142.83 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -154.76 120.42 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.809 ' C ' HD22 ' A' ' 22' ' ' LEU . 56.1 mt -96.38 146.91 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.2 mm? -131.33 179.72 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.78 113.48 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 57.6 m-85 -115.61 111.2 43.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.686 0.755 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.4 Cg_endo -69.74 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 44.5 mtm180 -53.92 146.97 25.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 136.05 36.97 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.386 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 9' ' ' VAL . 67.3 t -77.31 136.82 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -110.35 125.38 53.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 64' ' ' LEU . 53.1 tp -49.16 -50.34 38.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -51.75 -39.46 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.71 -53.11 61.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.728 HD21 HG21 ' A' ' 11' ' ' VAL . 12.2 mt -49.41 -47.63 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' HA ' ' A' ' 46' ' ' ASP . 50.6 mtp85 -65.23 -53.81 38.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -45.28 -53.21 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.2 mmmt -54.13 -64.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -49.1 -33.7 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -73.1 -34.62 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.52 -37.68 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.75 -49.71 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -87.87 -38.64 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.4 29.63 13.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -150.23 155.92 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 114.35 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.7 ptp -139.74 144.1 37.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HA ' ' NH2' ' A' ' 34' ' ' ARG . 7.6 t0 -73.41 163.57 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.9 105.8 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -108.53 110.47 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -102.18 134.55 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.656 HG22 HG22 ' A' ' 55' ' ' VAL . 41.6 p -98.95 117.54 33.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.6 t30 -67.15 -66.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -123.73 -70.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.8 -16.71 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.59 -179.46 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 50' ' ' THR . 39.8 t -128.0 133.13 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -120.21 105.66 41.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.42 101.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.5 p -116.51 -33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -126.77 160.1 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.499 ' OE1' HD23 ' A' ' 64' ' ' LEU . 4.4 mm-40 -54.71 -49.11 71.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -38.25 -45.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -65.51 -47.63 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD23 ' OE1' ' A' ' 61' ' ' GLN . 21.7 tp -58.63 -56.8 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.96 -39.21 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -77.65 -27.41 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.737 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -79.91 -27.98 39.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.467 HG23 HD12 ' A' ' 64' ' ' LEU . 99.1 t -81.38 -41.05 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.56 -36.75 83.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.737 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -67.62 -40.45 84.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 ' HE2' ' A' ' 77' ' ' MET . 6.8 tp -57.6 -45.51 85.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.89 -62.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -53.54 -31.24 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 t -68.54 113.02 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.0 mt -77.16 -47.03 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -61.31 -48.28 82.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.5 ' HE2' HD13 ' A' ' 71' ' ' LEU . 3.3 ttt -58.24 146.84 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -109.13 -46.49 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.6 p -143.56 171.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.6 tp -89.54 93.86 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -61.57 130.86 47.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.741 ' C ' HD22 ' A' ' 83' ' ' LEU . 18.9 mm -124.6 148.82 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -124.92 111.32 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.507 HD13 ' SD ' ' A' ' 45' ' ' MET . 59.5 mt -74.95 132.43 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 t -126.47 120.47 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.8 mm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 28' ' ' VAL . 89.6 t -114.96 98.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -67.71 102.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.89 HG21 HD21 ' A' ' 33' ' ' LEU . 77.8 t -104.41 131.93 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HE2' HD11 ' A' ' 21' ' ' ILE . 28.3 ttmt -106.94 121.56 44.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 84' ' ' LEU . 36.0 m-85 -102.95 105.2 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.14 125.64 51.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 t-80 -145.73 123.4 11.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 46.74 53.89 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.42 -38.63 2.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.02 151.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -146.93 129.55 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -135.84 116.04 13.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.667 HD11 ' HE2' ' A' ' 12' ' ' LYS . 67.2 mt -95.42 129.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.71 -176.26 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -137.9 110.43 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 71.2 m-85 -112.96 111.28 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.3 Cg_endo -69.72 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.602 ' HG3' HG23 ' A' ' 9' ' ' VAL . 69.5 mtm180 -47.54 148.28 2.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 142.92 72.25 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.371 -0.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 9' ' ' VAL . 46.2 t -86.95 143.83 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -116.41 133.48 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 64' ' ' LEU . 69.8 tp -50.44 -45.21 55.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.59 -40.17 90.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.17 -49.69 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.89 HD21 HG21 ' A' ' 11' ' ' VAL . 6.1 mt -54.07 -45.82 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HG2' HD13 ' A' ' 47' ' ' LEU . 60.7 mtp180 -67.63 -44.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -48.38 -56.19 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.6 mmtm -56.3 -60.41 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -33.13 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -76.9 -30.33 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 mt -83.7 -26.41 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.08 25.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -95.64 -46.32 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.57 35.34 2.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -157.32 153.11 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 37.61 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.479 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.3 ptp -49.1 146.84 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.85 163.78 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' A' ' 34' ' ' ARG . 11.1 mp -118.46 108.74 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -116.11 110.29 18.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -103.84 133.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.663 HG22 HG22 ' A' ' 55' ' ' VAL . 9.0 p -97.26 121.01 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 12.1 t-20 -68.01 -60.5 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -133.76 -58.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.4 -31.34 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 54' ' ' LEU . 24.0 mt -83.91 176.63 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 50' ' ' THR . 69.0 t -125.05 127.67 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.7 mp -112.88 106.87 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.8 101.58 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.66 100.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.2 p -115.21 -36.34 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 60.8 p -120.59 157.76 28.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -49.83 -49.31 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.73 -47.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.58 -46.2 89.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.1 tp -61.76 -57.7 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.52 -39.89 50.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.74 -16.73 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -90.26 -32.07 16.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.428 HG23 HD12 ' A' ' 64' ' ' LEU . 58.9 t -79.16 -34.02 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -71.13 -41.22 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -69.21 -32.18 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 80' ' ' LEU . 6.1 tp -63.25 -47.36 82.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.74 -56.67 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.43 -30.05 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 m -76.82 94.0 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.49 -58.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -43.64 -52.66 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 ttp -64.87 107.33 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -67.9 -54.3 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 p -131.77 174.8 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.614 ' HB2' HD22 ' A' ' 71' ' ' LEU . 12.4 tp -93.35 96.04 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.67 136.55 58.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.776 ' C ' HD22 ' A' ' 83' ' ' LEU . 32.8 mm -128.38 144.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.3 mm? -125.33 103.15 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 13' ' ' PHE . 9.2 mt -74.66 135.11 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.85 123.3 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.2 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 96.8 t -107.32 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.11 129.07 38.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.816 HG21 HD21 ' A' ' 33' ' ' LEU . 81.0 t -128.31 118.8 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.815 ' CE ' HD11 ' A' ' 21' ' ' ILE . 27.0 ttmt -94.08 121.81 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.753 ' CD2' HD13 ' A' ' 22' ' ' LEU . 9.4 m-85 -95.19 154.75 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' HB2' HD13 ' A' ' 83' ' ' LEU . 34.7 mt-10 -145.67 123.78 12.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -144.14 105.6 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 43.89 35.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.41 -39.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -61.94 127.06 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -122.41 144.53 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -150.12 117.39 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.815 HD11 ' CE ' ' A' ' 12' ' ' LYS . 7.2 mm -84.55 139.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 13' ' ' PHE . 6.8 mp -128.68 165.79 20.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -138.38 114.33 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 82.3 m-85 -119.78 115.4 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.1 Cg_endo -69.73 108.12 2.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HG2' HG23 ' A' ' 28' ' ' VAL . 20.7 mtp180 -45.65 146.8 1.71 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.69 136.78 40.32 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.367 -0.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.615 HG12 HD21 ' A' ' 64' ' ' LEU . 60.7 t -76.58 132.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HB2' ' CG ' ' A' ' 32' ' ' ASP . 27.5 mmtt -100.94 112.85 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 59' ' ' THR . 60.6 tp -42.21 -42.65 3.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.0 pt-20 -61.9 -42.0 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 3.7 m-20 -55.71 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.816 HD21 HG21 ' A' ' 11' ' ' VAL . 9.5 mt -49.83 -47.17 51.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HG2' HD13 ' A' ' 47' ' ' LEU . 75.6 mtp180 -67.8 -48.91 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -48.9 -53.76 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.625 ' HB3' HD21 ' A' ' 22' ' ' LEU . 27.5 mmmt -54.96 -64.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLY . 27.4 tttm -67.94 -36.19 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.12 -38.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.49 -47.3 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -89.65 -32.68 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 86.08 19.86 56.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -141.57 169.3 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 t -96.13 114.66 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.41 140.52 41.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' C ' HD12 ' A' ' 47' ' ' LEU . 7.1 m-20 -70.05 163.82 25.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -117.43 108.64 15.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -101.24 136.2 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 55' ' ' VAL . 17.7 p -103.9 140.08 38.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.1 t30 -89.92 -63.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -134.26 -65.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 54' ' ' LEU . 10.8 mt-10 -133.18 29.61 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 53' ' ' GLU . 87.0 mt -142.76 171.1 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 50' ' ' THR . 59.8 t -127.04 127.44 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -118.33 110.6 39.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 59' ' ' THR . 53.8 Cg_endo -69.78 92.16 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 64' ' ' LEU . 6.8 mt -50.98 92.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 57' ' ' PRO . 65.4 p -107.38 -42.66 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.1 p -114.32 151.5 32.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' OE1' HD23 ' A' ' 64' ' ' LEU . 4.3 mm-40 -47.39 -48.7 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -38.16 -45.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -49.25 74.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.615 HD21 HG12 ' A' ' 28' ' ' VAL . 18.3 tp -61.16 -56.61 18.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.95 -38.26 49.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -77.31 -21.49 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -84.6 -34.65 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.38 -35.09 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.4 pt-20 -74.93 -39.29 61.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -72.07 -25.34 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 80' ' ' LEU . 12.7 tp -70.27 -50.51 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.27 -58.05 8.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 13.3 ptm180 -55.23 -28.4 52.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.82 123.9 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.6 mt -87.64 -39.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -71.69 -43.5 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.9 mtp -68.86 140.55 55.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -96.78 -44.13 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.41 ' HA ' HD11 ' A' ' 71' ' ' LEU . 41.6 m -150.25 179.28 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 67' ' ' ALA . 22.8 tp -83.76 108.18 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.21 129.98 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.617 ' C ' HD22 ' A' ' 83' ' ' LEU . 17.2 mm -125.92 139.14 52.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.8 mm? -113.47 110.94 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -74.81 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.19 117.5 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -97.81 117.84 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -72.76 85.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 -174.96 16.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -62.63 154.37 29.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.819 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -62.47 96.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.82 91.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.56 177.31 5.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.0 104.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 ttm-85 -68.14 112.6 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.992 HG21 HD21 ' A' ' 33' ' ' LEU . 93.3 t -110.67 109.82 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HD3' HD11 ' A' ' 21' ' ' ILE . 15.3 ttpp -86.58 126.41 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.1 m-85 -99.2 158.84 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.668 ' HB2' HD13 ' A' ' 83' ' ' LEU . 13.3 mt-10 -145.98 120.53 9.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -138.85 110.12 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 42.39 53.44 4.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 19' ' ' LYS . . . 89.25 -33.51 4.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.96 155.35 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' CD ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -137.67 148.52 45.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -149.94 116.7 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.519 ' C ' HD12 ' A' ' 22' ' ' LEU . 4.7 mm -92.35 141.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.712 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.1 mp -132.71 169.74 16.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -135.76 118.5 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 80.7 m-85 -126.52 111.39 23.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 112.66 3.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 74.9 mtt180 -49.4 148.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.75 133.45 25.67 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.351 0.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG23 ' HG2' ' A' ' 26' ' ' ARG . 23.6 t -75.62 142.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -113.27 130.55 56.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.592 ' CA ' HD22 ' A' ' 64' ' ' LEU . 57.6 tp -54.45 -45.45 73.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.3 pt-20 -59.84 -38.46 82.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.05 -49.64 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.992 HD21 HG21 ' A' ' 11' ' ' VAL . 7.1 mt -54.08 -48.74 70.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG2' HD13 ' A' ' 47' ' ' LEU . 58.9 mtp85 -64.86 -54.48 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -42.2 -60.12 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.573 ' HB3' HD21 ' A' ' 22' ' ' LEU . 25.8 mmmt -52.81 -64.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -43.53 -32.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 17.7 mt -76.71 -38.12 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.79 78.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -88.72 -38.13 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.14 20.96 37.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -144.5 151.71 39.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.7 p -75.25 115.33 14.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.9 ptp -137.66 146.02 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.1 163.44 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.5 mp -115.19 105.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 4.8 m80 -111.63 110.73 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -106.94 135.19 48.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 HG22 ' A' ' 55' ' ' VAL . 42.7 p -98.8 123.07 42.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -132.12 -66.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.23 -23.98 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 mt -91.09 176.69 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 50' ' ' THR . 40.5 t -124.87 127.55 72.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.1 mp -115.58 106.6 50.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.73 102.1 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 63' ' ' ASP . 8.6 mt -59.62 96.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.4 p -108.51 -39.76 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -120.15 158.54 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -48.56 -48.62 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -39.39 -43.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -65.18 -50.31 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.592 HD22 ' CA ' ' A' ' 30' ' ' LEU . 26.3 tp -60.12 -56.91 15.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -50.11 -37.44 34.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -76.16 -27.51 56.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -80.35 -32.7 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 64' ' ' LEU . 45.6 t -79.74 -35.61 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -74.05 -39.27 63.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.41 -30.67 66.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.49 -55.77 18.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -51.56 -57.97 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' SER . 16.7 ptm180 -55.65 -42.2 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 2.3 m -62.84 123.29 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.72 -53.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.5 p-80 -49.61 -51.73 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -62.35 129.29 40.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -90.58 -45.97 8.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.5 p -141.55 173.75 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.776 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.0 tp -85.37 96.7 9.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -61.81 121.52 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.849 ' C ' HD22 ' A' ' 83' ' ' LEU . 42.5 mm -118.25 152.36 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.849 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -130.77 104.38 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.463 HD22 ' HG3' ' A' ' 45' ' ' MET . 34.9 mt -74.88 128.97 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.9 122.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.6 147.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -128.86 -60.99 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.86 -74.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.9 m -148.02 162.02 40.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.936 0.398 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 91' ' ' GLN . 17.2 m -81.21 161.31 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.499 ' N ' HG22 ' A' ' 90' ' ' THR . 27.8 tp60 -112.68 -51.56 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.65 49.55 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.6 t -48.39 -19.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -90.59 91.81 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -46.41 145.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -148.96 147.54 24.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -174.13 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 t -169.81 139.82 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.53 63.66 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 94.61 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 t -171.58 128.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t -89.16 96.46 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -151.23 128.12 10.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -155.37 108.28 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.29 49.27 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -91.59 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 69.66 44.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.66 179.3 3.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 167.33 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 86.9 t -108.47 110.56 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 13.8 ttm105 -75.35 126.36 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.766 HG21 HD21 ' A' ' 33' ' ' LEU . 94.4 t -126.26 109.06 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -88.56 128.57 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.773 ' CE2' HD13 ' A' ' 22' ' ' LEU . 15.5 m-85 -97.17 161.44 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -151.14 122.18 7.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.512 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.9 t-80 -150.69 132.83 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 39.13 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . 104.23 -37.12 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.521 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pt-20 -62.16 157.29 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 18' ' ' GLU . 50.1 mttt -143.3 147.7 35.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -146.68 118.17 7.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 22' ' ' LEU . 71.0 mt -90.19 136.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.773 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -123.42 168.92 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -135.39 116.58 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 85.6 m-85 -124.54 112.22 27.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 113.6 3.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 60.3 mtm180 -50.99 145.91 11.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 139.29 53.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.323 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.9 141.0 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -110.06 128.32 55.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.556 ' CA ' HD22 ' A' ' 64' ' ' LEU . 60.1 tp -51.25 -45.19 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.06 -41.93 75.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.9 -49.29 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 HG21 ' A' ' 11' ' ' VAL . 7.4 mt -53.33 -48.73 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HG2' HD13 ' A' ' 47' ' ' LEU . 39.4 mtp180 -65.69 -55.11 19.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -42.86 -58.58 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.542 ' HB3' HD21 ' A' ' 22' ' ' LEU . 22.5 mmmt -53.28 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -44.76 -35.26 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -71.49 -35.41 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mt -77.18 -38.26 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.48 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 2.9 m-85 -87.78 -38.57 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.8 41.19 7.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -167.73 144.79 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -69.29 115.23 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.59 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.0 ptp -138.37 145.61 41.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.72 163.54 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.2 mp -118.16 104.84 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -110.58 110.7 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.7 p90 -104.26 132.5 50.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.717 HG22 HG22 ' A' ' 55' ' ' VAL . 39.1 p -99.07 121.88 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.7 t30 -69.89 -56.83 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -133.35 -63.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -129.48 -30.25 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.83 -179.11 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 50' ' ' THR . 45.7 t -130.4 131.44 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.4 mp -118.79 106.16 44.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.91 98.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 57' ' ' PRO . 65.0 p -111.48 -41.81 4.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -113.62 159.28 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -56.48 -47.42 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -39.99 -42.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -51.94 58.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' CA ' ' A' ' 30' ' ' LEU . 30.1 tp -53.95 -55.58 25.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.8 -40.96 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -77.31 -19.03 56.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -88.32 -28.17 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 64' ' ' LEU . 87.8 t -81.74 -31.95 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 9.1 pt-20 -72.52 -39.24 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -68.61 -36.06 78.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 80' ' ' LEU . 5.6 tp -60.79 -50.81 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.5 -61.97 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -51.74 -38.02 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 77' ' ' MET . 3.6 m -67.32 90.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -53.47 -46.24 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -62.59 -47.09 85.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.401 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 0.5 OUTLIER -54.82 108.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -67.5 -50.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.0 p -149.21 176.98 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' HD22 ' A' ' 71' ' ' LEU . 21.9 tp -86.15 95.82 9.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -61.12 125.86 25.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.846 ' C ' HD22 ' A' ' 83' ' ' LEU . 44.8 mm -121.08 151.91 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.846 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.5 mm? -131.12 103.87 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' HG3' ' A' ' 45' ' ' MET . 36.8 mt -74.72 124.95 27.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -122.04 120.43 61.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.512 HG12 ' CE1' ' A' ' 15' ' ' HIS . 34.4 mm -52.33 146.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -125.89 145.73 50.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.11 -78.58 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 t -50.91 161.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.95 0.405 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.1 p -120.01 -46.61 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -156.35 123.32 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.05 86.27 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.9 m -59.7 -46.7 88.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -164.31 158.96 19.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -101.75 -41.06 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 95' ' ' LEU . 33.1 tt0 35.07 54.57 1.91 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HG3' HD12 ' A' ' 95' ' ' LEU . 54.0 Cg_endo -69.72 106.0 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.264 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.7 p -163.7 156.72 18.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -134.0 85.33 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -9.82 27.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 m -51.46 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.4 m -59.11 114.53 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -130.44 130.67 44.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 t -68.32 99.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.13 -113.17 1.87 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -86.72 126.96 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 t -139.99 137.44 34.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.54 92.13 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -90.03 158.52 17.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 28' ' ' VAL . 74.7 t -97.96 103.89 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 9.0 ttm105 -66.08 113.39 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 33' ' ' LEU . 90.0 t -118.82 119.95 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -100.67 133.35 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' HE1' HG21 ' A' ' 82' ' ' ILE . 26.6 m-85 -105.17 154.9 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -148.2 117.96 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 t-80 -145.71 126.26 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 41.42 44.39 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.58 -32.6 4.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 15' ' ' HIS . 70.1 mt-10 -62.15 147.51 47.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -139.58 143.2 37.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -153.79 122.01 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.751 ' C ' HD22 ' A' ' 22' ' ' LEU . 40.1 mt -100.91 144.12 13.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.751 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.2 mm? -130.28 178.91 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -138.47 109.92 6.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 43.2 m-85 -113.01 114.47 48.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.75 115.56 4.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.379 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 22.9 mtp180 -53.09 145.58 23.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 141.89 67.84 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.346 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 9' ' ' VAL . 98.5 t -84.87 133.1 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -102.78 122.81 45.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.7 tp -45.08 -51.27 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -52.48 -38.87 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -59.51 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 11' ' ' VAL . 9.5 mt -55.35 -49.16 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HG2' HD13 ' A' ' 47' ' ' LEU . 31.2 mtp180 -64.84 -45.34 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -51.75 -53.65 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 44.2 mmtt -53.86 -64.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -36.03 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.72 -33.77 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.42 -37.36 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -86.99 -38.19 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.15 39.94 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -167.38 143.83 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -73.54 117.39 15.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.645 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -136.29 151.15 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.74 163.42 27.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD13 ' HG2' ' A' ' 34' ' ' ARG . 10.4 mp -121.71 100.6 7.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -106.12 110.56 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.03 136.66 44.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.739 HG22 HG22 ' A' ' 55' ' ' VAL . 36.2 p -105.1 140.78 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -131.72 -67.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -133.83 28.97 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -141.77 168.85 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 50' ' ' THR . 61.3 t -124.57 128.39 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -117.98 106.04 46.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 100.01 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 64' ' ' LEU . 8.7 mt -59.85 102.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.6 p -113.01 -44.63 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -112.58 157.88 20.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.539 HE21 HD23 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -55.22 -47.76 74.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -41.6 -43.11 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.78 -54.85 32.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD23 HE21 ' A' ' 61' ' ' GLN . 17.1 tp -50.23 -52.05 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.03 -40.25 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -72.1 -26.56 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.52 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -81.82 -34.26 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.2 t -75.75 -39.69 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.3 pt-20 -68.4 -43.33 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.31 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 80' ' ' LEU . 9.0 tp -61.17 -54.34 45.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -53.28 -60.34 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -55.62 -39.34 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 m -63.42 129.61 40.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mt -89.52 -48.9 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -54.15 -44.22 71.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.9 ttp -84.63 112.53 20.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -79.82 -45.85 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.0 p -125.74 177.65 6.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.535 ' HB2' HD22 ' A' ' 71' ' ' LEU . 15.3 tp -97.0 97.77 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -64.14 125.64 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.806 ' C ' HD22 ' A' ' 83' ' ' LEU . 34.4 mm -121.46 144.46 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -124.22 105.17 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.645 HD13 ' SD ' ' A' ' 45' ' ' MET . 64.3 mt -74.91 131.82 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.61 122.07 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 88' ' ' GLY . 46.0 mm -53.73 136.97 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -117.73 41.7 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 86' ' ' ILE . . . 85.13 161.29 33.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 90' ' ' THR . 29.2 t -57.09 112.33 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.882 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 89' ' ' SER . 23.6 p -156.69 147.39 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.151 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -149.27 160.42 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.24 133.07 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.2 p -110.93 101.19 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -160.21 161.2 33.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 96' ' ' GLU . 1.6 pp -123.29 -42.33 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.683 ' N ' HD12 ' A' ' 95' ' ' LEU . 4.7 pt-20 -174.77 149.72 1.29 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 107.92 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -154.04 172.93 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 165.1 83.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 171.13 15.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.6 p -162.76 152.71 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.9 t -124.59 115.25 20.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' GLY . 77.6 p 34.81 43.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -62.35 -55.77 24.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.89 151.07 27.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -148.63 173.22 13.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -139.01 154.34 48.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.92 87.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.17 164.54 12.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 t -106.28 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -66.26 118.4 9.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.644 HG21 HD21 ' A' ' 33' ' ' LEU . 63.7 t -123.26 117.51 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.473 ' HE2' HD11 ' A' ' 21' ' ' ILE . 28.6 ttmt -98.32 132.3 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 21.4 m-85 -101.43 161.43 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -151.89 117.73 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.51 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.8 t-80 -147.5 130.63 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 45.03 33.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' CE ' ' A' ' 19' ' ' LYS . . . 93.38 -32.74 5.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.524 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.16 156.8 20.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -141.73 146.22 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -153.46 117.27 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.793 ' C ' HD22 ' A' ' 22' ' ' LEU . 81.9 mt -95.12 145.44 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.3 mm? -130.81 -179.84 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -138.59 111.88 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 74.3 m-85 -116.4 112.0 41.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.693 0.759 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 115.47 4.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.565 ' HG2' HG23 ' A' ' 28' ' ' VAL . 21.2 mtp180 -53.53 145.54 28.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.682 ' HB2' ' HZ1' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.76 147.61 85.01 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.353 -0.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.565 HG23 ' HG2' ' A' ' 26' ' ' ARG . 40.9 t -90.17 141.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.682 ' HZ1' ' HB2' ' A' ' 27' ' ' PRO . 11.1 mmtm -111.17 125.38 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 64' ' ' LEU . 53.9 tp -48.52 -43.28 35.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -59.53 -40.22 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 9.9 t0 -57.81 -55.37 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 11' ' ' VAL . 9.8 mt -47.51 -47.49 27.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -64.56 -53.01 54.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -43.82 -59.75 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 23.0 mmmt -51.91 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -48.15 -32.93 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -73.23 -35.85 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -77.59 -35.17 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.97 64.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -88.55 -38.34 14.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.38 7.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -160.23 148.51 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 p -73.77 116.31 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 84' ' ' LEU . 7.4 ptp -137.92 146.88 43.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.84 163.45 28.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -119.28 102.75 8.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -108.12 110.73 22.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CB ' HD13 ' A' ' 82' ' ' ILE . 1.8 p90 -105.75 128.42 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.913 HG22 HG22 ' A' ' 55' ' ' VAL . 31.0 p -95.89 125.94 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -70.82 -58.67 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -134.25 -59.25 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.35 -31.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.26 178.64 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.913 HG22 HG22 ' A' ' 50' ' ' THR . 79.7 t -129.78 128.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -114.65 106.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.7 100.91 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.87 101.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p -115.28 -41.25 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.4 p -111.9 153.26 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.505 HE21 HD23 ' A' ' 64' ' ' LEU . 2.1 tm0? -52.89 -46.92 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -42.6 -44.52 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.22 -49.71 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.3 tp -54.58 -56.46 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.45 -38.14 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -76.94 -20.47 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.18 -25.24 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -85.01 -30.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -75.68 -38.25 58.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -72.0 -30.72 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 80' ' ' LEU . 6.9 tp -66.28 -51.14 60.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.22 -58.94 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 74' ' ' SER . 12.6 ptm180 -53.85 -39.67 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.3 m -58.86 117.87 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.97 -44.83 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -62.14 -40.51 96.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.464 ' HE3' ' HA ' ' A' ' 80' ' ' LEU . 2.3 ttp -76.19 132.51 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -53.36 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -127.91 167.84 16.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.603 ' HB2' HD22 ' A' ' 71' ' ' LEU . 13.3 tp -85.05 104.22 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -67.58 122.64 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.804 ' C ' HD22 ' A' ' 83' ' ' LEU . 24.6 mm -120.14 145.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.5 mm? -125.44 105.55 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD13 ' SD ' ' A' ' 45' ' ' MET . 48.3 mt -74.83 126.83 31.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.8 t -124.87 122.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 15' ' ' HIS . 28.9 mm -52.6 121.15 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -83.31 -61.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.89 -111.67 0.87 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.452 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -90.77 153.06 20.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.988 0.423 . . . . 0.0 110.827 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 56.0 m -113.45 92.75 4.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' OE1' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -166.14 163.83 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -42.29 142.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 96.5 m -69.91 93.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -172.95 122.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -148.21 159.39 44.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -105.7 139.8 20.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 106.13 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.0 m -155.01 117.4 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.54 161.74 4.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -34.64 14.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.6 p -112.24 167.17 10.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.1 p -124.34 131.52 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -120.78 170.01 9.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -128.12 162.82 26.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.96 -108.2 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -97.69 86.88 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -95.01 121.52 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 125.33 1.01 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.27 174.18 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 95.2 t -114.17 94.71 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -61.13 125.42 23.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 33' ' ' LEU . 87.0 t -125.92 105.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.565 ' HD2' HD11 ' A' ' 21' ' ' ILE . 24.9 tttt -85.4 123.34 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.681 ' CE2' HD13 ' A' ' 22' ' ' LEU . 16.0 m-85 -93.91 160.96 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -148.27 136.19 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -157.96 107.34 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 38.96 53.61 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.82 -39.16 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 145.09 53.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -143.54 147.66 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -153.76 116.96 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.565 HD11 ' HD2' ' A' ' 12' ' ' LYS . 68.8 mt -90.78 131.71 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.1 mp -117.9 169.95 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -137.55 111.4 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 85.4 m-85 -118.95 112.05 36.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.8 2.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.641 ' HG2' HG23 ' A' ' 28' ' ' VAL . 26.7 mtp180 -46.14 148.07 1.63 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.7 140.01 57.82 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.387 -0.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.699 HG12 HD21 ' A' ' 64' ' ' LEU . 93.5 t -83.99 140.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ASP . 21.1 mmtp -112.85 114.11 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 59' ' ' THR . 21.9 tp -39.02 -47.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 6.6 pt-20 -55.12 -43.05 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 13.7 t0 -56.54 -51.59 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 11' ' ' VAL . 6.7 mt -51.0 -47.31 61.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -64.45 -55.32 21.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -41.6 -60.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HB3' HD21 ' A' ' 22' ' ' LEU . 24.2 mmmt -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -45.01 -30.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLY . 30.1 tttm -77.88 -36.61 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mt -74.84 -29.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -48.43 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -90.11 -45.66 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 113.14 0.53 25.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -125.32 157.44 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.76 36.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.874 ' HG3' HD22 ' A' ' 84' ' ' LEU . 4.9 ptp -45.19 142.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.13 163.34 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.3 mp -117.79 103.25 9.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.433 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -111.71 110.6 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.723 ' HB3' HD13 ' A' ' 82' ' ' ILE . 1.9 p90 -103.65 139.61 38.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.574 HG22 HG22 ' A' ' 55' ' ' VAL . 12.8 p -108.41 135.01 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -86.54 -75.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -108.44 -75.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.95 13.29 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -116.9 -177.77 3.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.574 HG22 HG22 ' A' ' 50' ' ' THR . 59.7 t -135.09 133.72 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.0 mp -128.24 109.34 19.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 106.64 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.26 95.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' HD21 ' A' ' 30' ' ' LEU . 20.0 p -106.97 -46.69 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.5 p -110.7 158.82 18.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.58 -42.48 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -67.41 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.699 HD21 HG12 ' A' ' 28' ' ' VAL . 27.3 tp -56.25 -49.29 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.27 -40.66 74.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -75.27 -20.34 59.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -86.07 -32.02 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 64' ' ' LEU . 42.5 t -80.73 -42.92 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -63.93 -32.48 74.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -76.32 -32.06 58.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.12 -53.97 37.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.75 -54.33 39.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.66 -35.32 79.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -69.33 100.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.62 -52.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -45.91 -50.75 14.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.87 158.26 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -111.01 -55.34 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.9 p -136.79 176.83 8.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.6 tp -87.08 94.67 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -63.19 123.33 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 49' ' ' TYR . 12.2 mm -122.24 143.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -117.89 106.65 13.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.874 HD22 ' HG3' ' A' ' 45' ' ' MET . 84.5 mt -74.93 117.0 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.6 127.87 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm -52.48 141.05 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.36 -44.96 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.46 -124.18 7.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.3 p -99.0 171.48 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.5 t -174.94 131.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -70.14 143.79 52.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.08 100.08 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 p -109.12 151.49 26.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.585 ' HB3' HD23 ' A' ' 95' ' ' LEU . 61.5 t30 -82.53 -45.65 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.585 HD23 ' HB3' ' A' ' 94' ' ' ASN . 1.4 pt? -167.35 144.56 4.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -90.67 136.63 27.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 127.91 15.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.7 p -150.18 164.36 35.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.81 71.42 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.46 6.4 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.5 t 51.06 41.28 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.6 p -145.03 125.41 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -70.99 163.69 27.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -143.39 141.2 30.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.24 132.11 3.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -40.66 150.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 p -173.25 117.53 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.4 152.04 19.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.93 175.54 5.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.588 HG23 ' HG3' ' A' ' 26' ' ' ARG . 93.5 t -115.75 102.17 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -67.07 114.7 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.839 HG21 HD21 ' A' ' 33' ' ' LEU . 94.6 t -112.21 114.48 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.519 ' HD3' HD11 ' A' ' 21' ' ' ILE . 3.4 ttpm? -90.53 127.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.2 m-85 -98.32 158.97 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 83' ' ' LEU . 7.8 mt-10 -150.31 121.0 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.634 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 4.8 t60 -147.81 112.36 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HD2' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER 52.03 41.11 29.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.18 -35.62 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.06 150.8 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -132.21 149.04 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 17.3 mmt180 -148.17 116.35 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.534 ' C ' HD12 ' A' ' 22' ' ' LEU . 5.4 mm -91.79 141.61 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.3 mp -133.25 166.71 21.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -133.7 115.89 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 87.7 m-85 -124.03 111.36 28.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.725 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 110.08 2.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.588 ' HG3' HG23 ' A' ' 9' ' ' VAL . 54.0 mtm180 -49.45 147.01 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 131.97 20.84 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.353 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 26' ' ' ARG . 48.9 t -75.75 144.11 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -108.3 122.03 46.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.64 ' HA ' HD22 ' A' ' 64' ' ' LEU . 57.0 tp -50.23 -43.1 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.68 -39.69 94.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -48.96 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.839 HD21 HG21 ' A' ' 11' ' ' VAL . 6.5 mt -53.29 -48.83 68.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -62.94 -54.55 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -44.8 -56.75 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.587 ' HB3' HD21 ' A' ' 22' ' ' LEU . 1.3 mmmp? -53.62 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -42.98 -36.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.4 ttpt -69.99 -38.0 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 36' ' ' LYS . 18.6 mt -74.48 -38.67 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.31 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 32.9 m-85 -87.73 -36.22 17.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.67 26.34 17.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -151.7 148.03 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 m -75.82 120.75 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.669 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.9 ptp -142.34 150.52 40.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.04 163.66 26.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.1 mp -117.77 102.88 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.6 m80 -106.84 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -104.0 133.7 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.685 HG22 HG22 ' A' ' 55' ' ' VAL . 31.1 p -103.44 137.7 41.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.8 t30 -87.55 -72.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -120.37 -68.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -134.27 32.56 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mt -144.27 169.11 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 50' ' ' THR . 56.4 t -122.34 134.4 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.6 mp -124.72 107.58 28.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.75 94.59 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -55.93 98.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' HD21 ' A' ' 30' ' ' LEU . 18.7 p -116.36 -35.67 4.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.471 ' C ' HD22 ' A' ' 30' ' ' LEU . 67.6 p -115.27 157.81 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.5 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.3 -42.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -64.62 -52.28 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD22 ' HA ' ' A' ' 30' ' ' LEU . 23.5 tp -57.7 -55.19 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -53.44 -38.04 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -77.18 -23.61 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -82.04 -37.13 26.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 64' ' ' LEU . 61.6 t -73.42 -36.81 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.01 -41.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.82 -32.8 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 80' ' ' LEU . 9.6 tp -63.15 -54.87 30.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.28 -59.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.6 ptm180 -53.5 -42.89 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 4.2 t -52.41 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.44 -54.09 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -59.38 -51.13 71.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -66.48 125.42 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -93.91 -48.76 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.3 p -125.98 175.25 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB2' HD22 ' A' ' 71' ' ' LEU . 14.6 tp -93.09 95.29 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -60.66 131.94 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.728 ' C ' HD22 ' A' ' 83' ' ' LEU . 28.0 mm -129.01 140.85 48.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.7 mm? -118.33 104.42 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.669 HD22 ' HG3' ' A' ' 45' ' ' MET . 78.6 mt -74.75 131.71 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.9 139.03 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.3 mm -67.02 134.38 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -115.56 -55.8 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.58 -140.21 5.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.4 p -113.82 141.46 47.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.9 m -129.98 134.94 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -98.17 40.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.86 128.14 22.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -139.65 141.45 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -171.96 162.91 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -171.66 134.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -75.47 141.8 73.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.632 2.222 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -140.65 124.98 17.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.68 140.08 4.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 138.22 37.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 m -83.96 -61.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 t -51.41 130.99 28.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -114.03 -59.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 62.68 41.7 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.95 -98.81 2.4 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -65.69 175.67 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -147.61 164.03 34.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.65 131.91 2.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -105.93 165.76 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -105.07 105.29 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.86 109.92 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.924 HG21 HD21 ' A' ' 33' ' ' LEU . 92.5 t -113.5 125.15 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 18.8 ttmt -105.56 132.85 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 23.6 m-85 -104.38 153.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -143.64 130.63 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -154.69 105.38 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 45.88 42.04 8.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.07 -32.24 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 121.62 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -122.48 139.26 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -154.41 120.21 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.784 ' C ' HD22 ' A' ' 22' ' ' LEU . 93.7 mt -98.25 145.74 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.784 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.1 mm? -131.8 179.6 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -139.08 111.24 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 67.2 m-85 -112.51 111.46 52.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.7 116.84 4.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 27.6 mtm105 -56.48 147.49 49.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 128.95 13.45 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.358 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 64.5 t -77.89 140.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -107.8 136.92 46.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 64' ' ' LEU . 61.5 tp -56.73 -50.22 72.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -54.53 -38.4 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 14.1 t0 -57.79 -51.84 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.924 HD21 HG21 ' A' ' 11' ' ' VAL . 9.0 mt -51.11 -47.35 61.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG2' HD13 ' A' ' 47' ' ' LEU . 49.1 mtp180 -65.74 -46.45 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -47.79 -56.88 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 31.9 mmmt -53.96 -64.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -45.04 -32.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 31.6 tttp -76.81 -34.37 57.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.6 mt -75.75 -38.55 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.99 -48.15 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -87.16 -39.43 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.68 25.64 24.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -150.54 145.51 26.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.5 t -73.25 120.8 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.9 ' SD ' HD13 ' A' ' 84' ' ' LEU . 7.6 ptp -141.81 153.18 44.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -76.41 163.54 26.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.4 mp -121.19 99.68 6.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.435 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -105.29 110.68 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 67' ' ' ALA . 2.0 p90 -105.38 136.8 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.846 HG22 HG22 ' A' ' 55' ' ' VAL . 46.8 p -103.72 142.9 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -95.79 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -128.46 -69.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -131.78 29.1 4.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mt -145.38 163.26 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 50' ' ' THR . 73.5 t -118.1 132.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -120.21 105.93 41.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.72 97.45 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.2 mt -56.73 98.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' PRO . 49.0 p -110.64 -42.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.468 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.4 p -117.27 160.33 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -56.62 -46.8 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -40.71 -44.86 2.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.2 -52.89 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.6 tp -52.33 -54.48 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -51.3 -38.17 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.44 -25.08 50.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -84.07 -27.93 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 64' ' ' LEU . 85.6 t -80.05 -38.86 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.0 pt-20 -65.21 -39.37 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.45 -27.34 63.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 14.9 tp -66.8 -46.98 73.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -58.52 -51.37 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.97 -38.75 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.2 p -66.74 115.07 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -80.77 -64.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -43.3 -38.83 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.471 ' HE2' ' HA ' ' A' ' 71' ' ' LEU . 3.2 ttt -67.52 96.37 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -54.34 -44.7 72.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 p -155.19 178.28 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 49' ' ' TYR . 20.4 tp -84.49 96.54 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -63.77 130.66 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.778 ' C ' HD22 ' A' ' 83' ' ' LEU . 29.1 mm -124.18 145.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.6 mm? -123.55 105.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.9 HD13 ' SD ' ' A' ' 45' ' ' MET . 74.5 mt -74.82 131.83 41.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.22 119.66 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.1 mm -48.67 108.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -81.87 -57.88 3.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 157.53 174.54 27.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.3 t -72.34 100.13 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.992 0.425 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.5 t -149.02 162.02 40.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -119.97 128.86 53.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.17 119.9 29.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.2 m -104.68 118.52 36.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -159.54 133.34 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 95' ' ' LEU . 1.5 pt? -101.9 171.33 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -125.06 91.78 48.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 159.98 51.4 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -161.98 139.43 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.82 83.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 174.12 10.04 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.6 m -115.24 176.33 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.5 p -174.49 142.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -39.19 -60.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -71.53 158.41 36.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.24 -101.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t 55.84 43.19 28.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -124.55 101.56 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.09 92.81 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.09 171.86 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 11' ' ' VAL . 93.3 t -108.62 90.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -53.8 130.87 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.861 HG21 HD21 ' A' ' 33' ' ' LEU . 42.3 t -132.44 109.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HE2' HD11 ' A' ' 21' ' ' ILE . 25.9 ttmt -92.45 114.45 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.744 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.4 m-85 -85.82 155.14 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -148.75 117.69 6.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -134.01 91.61 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 43.95 51.79 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.49 -41.41 2.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.13 116.01 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.365 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -115.67 134.9 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.95 117.15 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.677 HD11 ' HE2' ' A' ' 12' ' ' LYS . 58.7 mt -90.64 138.72 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 13' ' ' PHE . 8.1 mp -125.48 166.03 17.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -138.24 116.42 11.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.4 m-85 -121.4 113.45 32.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.668 0.747 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.14 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.5 mtp-105 -47.51 147.71 2.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.85 139.33 54.25 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.646 HG12 HD21 ' A' ' 64' ' ' LEU . 80.5 t -88.86 141.0 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -112.74 136.8 51.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 64' ' ' LEU . 56.2 tp -57.53 -43.73 84.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.36 -37.55 86.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -48.03 83.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.861 HD21 HG21 ' A' ' 11' ' ' VAL . 5.9 mt -55.69 -50.1 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.657 ' HG2' HD13 ' A' ' 47' ' ' LEU . 72.4 mtp180 -61.32 -53.03 61.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -42.75 -56.67 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 1.3 mmmp? -54.9 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -43.54 -32.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.3 tttt -75.88 -33.87 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt -77.64 -40.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.62 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.04 -21.18 19.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 72.22 12.4 76.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.903 ' HG3' ' HE3' ' A' ' 45' ' ' MET . 2.0 pt20 -137.86 133.71 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 129.11 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.903 ' HE3' ' HG3' ' A' ' 43' ' ' GLN . 3.6 ptp -150.45 146.09 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.37 163.68 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.657 HD13 ' HG2' ' A' ' 34' ' ' ARG . 10.1 mp -117.84 108.76 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -114.14 110.92 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -103.16 137.48 41.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.699 HG22 HG22 ' A' ' 55' ' ' VAL . 9.9 p -105.43 122.64 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -71.24 -62.18 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -125.8 -75.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.83 -15.5 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.97 -178.35 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 50' ' ' THR . 61.8 t -135.01 131.35 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -121.73 110.22 33.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 105.46 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 16.7 mt -61.96 91.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 p -106.83 -40.37 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -117.22 154.19 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -51.38 -46.77 62.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -40.24 -41.9 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.98 -49.46 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.646 HD21 HG12 ' A' ' 28' ' ' VAL . 33.1 tp -56.61 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.51 -39.38 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -75.49 -20.8 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -87.5 -32.88 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 64' ' ' LEU . 69.2 t -79.37 -33.35 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.84 -36.11 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -74.21 -31.85 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 71' ' ' LEU . 3.4 tp -62.79 -49.22 75.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.51 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -53.79 -30.34 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.6 p -82.81 113.04 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' HIS . 37.4 mm -73.57 -71.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ILE . 4.2 p80 -34.54 -42.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 tpp -59.42 108.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.22 -42.04 99.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -167.1 -178.69 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.562 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.2 tp -83.88 94.63 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -62.39 129.88 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.721 ' C ' HD22 ' A' ' 83' ' ' LEU . 17.1 mm -125.23 145.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.0 mm? -121.92 107.78 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' HG3' ' A' ' 45' ' ' MET . 56.6 mt -74.86 130.58 39.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.94 119.73 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 29.6 mm -49.6 132.35 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -102.49 -60.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.97 -141.78 11.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -77.82 136.89 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 t -128.7 137.81 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -140.06 138.01 35.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.28 118.21 27.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 t -109.11 152.64 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -82.28 44.76 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -145.22 128.25 16.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -88.66 143.9 32.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.626 0.727 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 104.7 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 p -94.11 122.13 36.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -44.77 125.92 6.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.85 17.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 t -132.97 -48.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -85.16 124.22 31.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -101.7 117.44 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -93.4 42.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.85 -112.46 4.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -101.83 -54.55 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -114.88 166.79 11.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.88 -76.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.96 175.41 10.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.506 HG22 ' HE ' ' A' ' 26' ' ' ARG . 83.9 t -115.8 90.09 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.27 126.75 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.812 HG21 HD21 ' A' ' 33' ' ' LEU . 93.9 t -124.82 116.94 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HD3' HD11 ' A' ' 21' ' ' ILE . 17.9 ttpp -95.07 113.36 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.81 ' CE2' HD13 ' A' ' 22' ' ' LEU . 11.6 m-85 -85.38 157.8 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.545 ' HB2' HD13 ' A' ' 83' ' ' LEU . 7.6 mt-10 -151.29 119.15 6.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.3 t-80 -145.64 106.41 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 57.16 47.84 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.84 -46.29 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 9.9 mm-40 -62.46 158.14 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -147.69 161.1 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -150.14 116.43 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.511 HD11 ' HD3' ' A' ' 12' ' ' LYS . 5.2 mm -83.99 134.77 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.81 HD13 ' CE2' ' A' ' 13' ' ' PHE . 7.5 mp -127.76 167.27 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -137.78 116.31 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 79.5 m-85 -122.49 111.47 31.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 114.3 3.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.387 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 78.1 mtt180 -50.14 146.93 7.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 131.44 19.29 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.328 -0.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 9' ' ' VAL . 90.5 t -78.97 135.77 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -105.2 135.16 47.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 64' ' ' LEU . 35.5 tp -59.54 -42.46 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.0 pt-20 -61.26 -35.58 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 1.2 m-20 -62.76 -46.47 87.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.812 HD21 HG21 ' A' ' 11' ' ' VAL . 7.4 mt -56.49 -47.44 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -65.59 -55.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -43.75 -57.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HB3' HD21 ' A' ' 22' ' ' LEU . 6.6 mmmm -53.79 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -45.08 -38.02 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.1 tttm -68.79 -36.28 78.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.41 -38.76 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.03 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.47 -38.08 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.38 27.15 16.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -153.0 144.36 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -71.75 123.63 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.796 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.9 ptp -144.22 146.21 32.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.94 163.7 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.8 mp -120.02 99.84 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -106.04 110.81 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -103.33 136.12 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 HG22 ' A' ' 55' ' ' VAL . 43.7 p -105.78 138.41 42.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 9.4 t-20 -89.7 -71.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -120.17 -69.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 54' ' ' LEU . 17.2 mt-10 -133.28 30.33 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 53' ' ' GLU . 80.5 mt -140.04 173.0 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 50' ' ' THR . 72.3 t -127.86 127.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.0 mp -116.59 105.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.02 97.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.3 p -109.24 -44.24 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -112.14 160.6 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -58.04 -48.02 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -38.63 -43.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.94 -54.24 33.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 30' ' ' LEU . 24.5 tp -49.16 -51.69 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.12 -42.72 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -74.14 -21.62 59.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -82.57 -35.76 26.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' LEU . 65.4 t -76.03 -37.86 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -67.28 -43.74 81.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -65.09 -35.46 81.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 80' ' ' LEU . 10.7 tp -60.06 -56.31 23.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -47.85 -59.96 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.3 ptm180 -52.87 -38.88 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.8 t -60.76 109.6 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mt -73.53 -59.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -50.37 -52.15 39.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttt -57.92 133.43 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.8 m -131.1 -178.98 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.516 ' HB2' HD22 ' A' ' 71' ' ' LEU . 17.3 tp -83.77 102.37 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -69.12 126.07 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.749 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.9 mm -123.18 142.57 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -121.27 107.1 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.796 HD22 ' HG3' ' A' ' 45' ' ' MET . 38.2 mt -74.73 130.43 39.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.5 t -128.95 118.31 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.49 HG12 ' CE1' ' A' ' 15' ' ' HIS . 33.5 mm -49.74 140.77 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -122.09 -58.92 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.1 -111.76 0.94 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.4 p -89.29 158.53 17.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.5 t -168.69 144.12 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -136.65 139.32 41.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.37 146.21 46.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.6 p -136.92 140.77 42.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -117.34 89.34 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 96' ' ' GLU . 6.7 tp -170.57 154.7 4.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.438 ' N ' ' HG ' ' A' ' 95' ' ' LEU . 38.0 mt-10 -109.17 80.57 1.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.69 14.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.2 p -156.5 172.13 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.58 142.15 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 138.8 38.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.5 m -141.62 170.4 15.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.2 t -107.48 -52.95 2.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -84.26 42.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.823 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -38.93 -46.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -81.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -122.49 169.59 10.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -121.59 86.73 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.64 146.78 18.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -118.61 159.98 22.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' CG2' HG21 ' A' ' 28' ' ' VAL . 84.0 t -98.96 101.91 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -64.32 111.51 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.879 HG21 HD21 ' A' ' 33' ' ' LEU . 87.4 t -114.58 120.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -98.07 132.09 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 17.3 m-85 -102.08 157.99 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -146.53 131.73 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -157.01 117.11 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 42.9 43.38 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.64 -34.25 4.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -62.03 145.82 52.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -136.02 149.1 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -157.22 116.28 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.544 ' C ' HD22 ' A' ' 22' ' ' LEU . 72.4 mt -96.59 128.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD23 ' CE2' ' A' ' 13' ' ' PHE . 2.7 mm? -111.55 -179.04 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -139.27 115.52 10.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 53.3 m-85 -118.57 110.69 38.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.75 117.56 5.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 26.3 mtm180 -54.78 147.06 33.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.78 130.82 17.6 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.445 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 85.8 t -80.34 138.09 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -108.73 142.95 38.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.573 ' HA ' HD22 ' A' ' 64' ' ' LEU . 40.8 tp -62.94 -40.52 97.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.3 pt-20 -60.67 -39.1 87.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 2.5 m-20 -58.46 -52.03 67.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.879 HD21 HG21 ' A' ' 11' ' ' VAL . 14.1 mt -48.66 -45.86 39.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.46 -52.48 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -45.45 -57.82 3.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 28.9 mmmt -55.54 -63.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -46.18 -28.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 42' ' ' GLY . 76.1 tttt -80.67 -32.66 35.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 36' ' ' LYS . 22.2 mt -76.28 -33.94 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.89 -44.33 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -95.7 -42.65 8.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 103.26 31.5 4.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.547 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.416 ' C ' ' HG3' ' A' ' 38' ' ' LYS . 21.8 mt-30 -152.08 154.67 36.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -82.95 38.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.44 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.1 ptp -49.75 155.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.13 163.38 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.8 mp -121.89 100.85 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.8 m80 -109.13 112.19 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.648 ' CB ' HD13 ' A' ' 82' ' ' ILE . 1.8 p90 -105.51 132.61 51.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.628 HG22 HG22 ' A' ' 55' ' ' VAL . 44.2 p -101.47 141.38 34.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.8 t-20 -92.33 -71.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -121.83 -70.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -132.28 30.25 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -141.3 172.24 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 HG22 ' A' ' 50' ' ' THR . 48.1 t -126.95 130.6 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -121.78 106.3 37.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 30' ' ' LEU . 7.6 mt -54.53 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -111.82 -46.69 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.495 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.3 p -111.53 162.35 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.453 ' OE1' HD23 ' A' ' 64' ' ' LEU . 5.8 tp-100 -58.9 -47.6 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -40.76 -42.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -63.46 -52.84 59.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.573 HD22 ' HA ' ' A' ' 30' ' ' LEU . 20.9 tp -53.38 -56.19 18.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.25 -37.48 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -78.67 -20.83 49.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -87.93 -24.1 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 64' ' ' LEU . 79.2 t -86.05 -37.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.44 -34.78 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.774 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -74.5 -40.78 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 80' ' ' LEU . 7.5 tp -57.1 -49.64 75.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -62.36 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -54.08 -39.0 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -54.54 128.26 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.0 mm -86.29 -62.19 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -49.28 -51.72 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 ttp -61.68 135.81 57.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -99.61 -49.62 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 p -131.81 179.59 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.673 ' HB2' HD22 ' A' ' 71' ' ' LEU . 17.3 tp -91.44 96.97 10.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -60.91 126.91 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.801 ' C ' HD22 ' A' ' 83' ' ' LEU . 22.9 mm -124.05 150.21 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -128.47 105.07 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 13' ' ' PHE . 34.3 mt -74.86 125.88 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.2 t -127.43 117.16 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.7 mm -42.15 149.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -125.15 173.35 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.3 -72.15 1.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -150.6 154.61 37.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 110.849 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.0 m -105.94 139.13 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -117.18 104.31 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.24 118.09 31.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 t -115.68 40.83 2.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -144.11 121.32 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.62 113.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -44.05 139.42 3.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 133.61 26.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.9 p -104.4 -56.48 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.55 133.69 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.74 33.08 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.8 t -47.72 -45.63 28.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 t -122.96 -44.03 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m 57.92 42.27 23.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 m -97.16 126.46 42.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.57 178.93 24.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -114.87 121.48 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' GLY . 68.1 m -144.95 115.87 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.72 137.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.44 169.12 17.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 11' ' ' VAL . 98.6 t -110.13 87.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -51.48 111.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 9' ' ' VAL . 90.4 t -117.88 134.34 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 1.5 ttmp? -112.63 137.51 50.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE2' HD23 ' A' ' 22' ' ' LEU . 50.8 m-85 -107.02 157.62 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.535 ' HB2' HD13 ' A' ' 83' ' ' LEU . 11.5 mt-10 -151.87 130.43 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -158.26 114.78 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 46.35 40.66 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.49 -38.53 3.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.94 127.35 30.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.76 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.3 mmp_? -150.47 133.13 15.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.852 ' C ' HD22 ' A' ' 22' ' ' LEU . 69.6 mt -103.5 146.38 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.852 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.4 mm? -131.41 -178.8 5.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -138.75 111.91 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 63.1 m-85 -113.87 111.19 48.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 0.0 110.838 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.2 Cg_endo -69.77 117.01 4.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 62.4 mtt180 -52.37 146.34 16.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 144.76 77.46 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 -1.786 . . . . 0.0 112.351 -0.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.673 HG21 HG21 ' A' ' 9' ' ' VAL . 58.2 t -84.79 137.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -111.15 129.74 55.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 tp -54.18 -41.43 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -57.53 -50.94 71.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 11' ' ' VAL . 8.6 mt -51.53 -46.01 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -66.95 -55.46 14.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.05 -56.0 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 30.5 mmmt -52.13 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.19 -31.38 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -77.16 -31.42 55.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.2 mt -83.48 -27.84 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.13 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -90.27 -36.21 14.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.18 42.01 5.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -166.91 145.42 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -73.93 121.75 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.662 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.1 ptp -142.52 142.52 32.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 163.55 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -121.51 100.18 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -106.71 110.5 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.677 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 p90 -104.62 135.64 45.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.519 HG22 HG22 ' A' ' 55' ' ' VAL . 28.4 p -105.28 139.17 40.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' OD1' ' ND2' ' A' ' 52' ' ' ASN . 9.7 t30 -90.45 -62.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.41 ' ND2' ' OD1' ' A' ' 51' ' ' ASN . 1.7 m-80 -132.84 -70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 54' ' ' LEU . 15.1 mt-10 -129.8 28.54 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 53' ' ' GLU . 72.7 mt -141.24 169.68 17.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 50' ' ' THR . 21.7 t -126.66 129.44 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.9 mp -119.0 106.01 44.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.7 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.22 99.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.5 p -108.42 -44.49 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -121.62 164.11 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -53.93 -44.93 71.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -41.88 -47.17 4.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -60.82 -54.03 50.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.495 HD21 HG12 ' A' ' 28' ' ' VAL . 27.3 tp -53.46 -55.09 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.91 -37.39 31.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -80.58 -17.59 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -91.74 -22.63 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 HD12 ' A' ' 64' ' ' LEU . 85.1 t -88.5 -32.65 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -71.23 -37.5 72.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -68.42 -39.18 81.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.04 -51.04 70.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.19 -62.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 2.1 ptm85 -53.21 -34.94 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' CE1' ' A' ' 76' ' ' HIS . 8.6 t -74.32 97.9 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.38 -60.61 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' OG ' ' A' ' 74' ' ' SER . 6.8 p80 -44.04 -42.77 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.37 131.18 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -94.82 -41.67 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.0 p -153.29 179.21 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 49' ' ' TYR . 11.4 tp -101.93 91.2 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.591 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.4 ttmt -53.63 150.78 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.749 ' C ' HD22 ' A' ' 83' ' ' LEU . 21.8 mm -143.9 134.49 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.1 mm? -116.94 105.37 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.662 HD22 ' HG3' ' A' ' 45' ' ' MET . 6.5 mt -74.8 133.14 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' ILE . 83.4 t -128.21 116.33 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' VAL . 44.2 mm -38.15 139.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.04 137.71 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.47 -59.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.6 t -48.51 109.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 m -120.47 124.92 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -86.52 95.59 9.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.32 -46.39 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.1 t -145.51 140.99 27.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -85.47 -59.18 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.0 mt -142.15 136.81 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.456 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 11.5 tt0 -62.23 142.28 95.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 53.9 Cg_endo -69.77 114.3 3.66 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.402 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.4 p -121.32 112.62 18.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.65 135.41 3.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.2 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.6 p -146.92 168.52 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 m -55.89 163.46 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.452 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 91.1 p -36.12 132.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -120.22 160.93 21.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.07 -175.4 22.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -95.77 148.33 22.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -92.9 142.35 27.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.37 103.94 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.66 176.06 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 26' ' ' ARG . 88.1 t -117.66 101.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.523 ' HG2' HG23 ' A' ' 21' ' ' ILE . 9.3 ttm180 -66.61 119.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.872 HG21 HD21 ' A' ' 33' ' ' LEU . 90.1 t -119.97 110.03 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -94.82 119.8 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 22' ' ' LEU . 27.4 m-85 -86.63 160.78 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.6 mt-10 -150.95 111.1 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -135.33 103.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 59.3 mtp85 52.46 54.97 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 -42.94 3.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -61.4 147.9 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 110.881 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 152.66 38.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -152.5 116.19 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.523 HG23 ' HG2' ' A' ' 10' ' ' ARG . 4.6 mp -84.05 133.12 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.62 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -119.28 172.18 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -138.41 115.41 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 36' ' ' LYS . 88.1 m-85 -123.52 112.55 29.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 111.05 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.8 mtp-105 -50.43 145.98 9.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.77 135.62 34.75 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.332 0.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.607 HG12 HD21 ' A' ' 64' ' ' LEU . 73.4 t -83.54 137.81 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -103.24 126.9 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.721 ' HA ' HD22 ' A' ' 64' ' ' LEU . 38.9 tp -50.87 -40.92 57.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -62.78 -39.58 94.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -58.29 -48.37 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.872 HD21 HG21 ' A' ' 11' ' ' VAL . 7.5 mt -54.7 -46.05 74.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -67.14 -55.79 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -43.12 -55.85 3.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HB3' HD21 ' A' ' 22' ' ' LEU . 6.8 mmmm -55.0 -64.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -44.17 -35.33 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.2 tttt -70.55 -37.81 74.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -75.86 -35.95 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.79 -49.75 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.25 -38.82 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.29 42.45 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -168.41 144.15 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.7 p -69.21 117.85 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.754 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.8 ptp -140.86 146.26 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.26 162.74 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -117.76 98.62 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -104.13 110.75 23.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.664 ' HB3' HD13 ' A' ' 82' ' ' ILE . 1.7 p90 -105.35 137.25 43.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 55' ' ' VAL . 30.8 p -103.75 144.01 32.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.0 t30 -96.91 -61.98 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.09 -70.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -130.99 28.2 4.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mt -143.16 166.55 24.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 50' ' ' THR . 21.3 t -121.95 131.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.2 mp -120.43 105.96 40.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 98.08 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.59 100.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.433 ' O ' HD21 ' A' ' 30' ' ' LEU . 41.0 p -109.84 -41.52 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.604 ' C ' HD22 ' A' ' 30' ' ' LEU . 63.0 p -118.47 160.21 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.463 ' OE1' HD23 ' A' ' 64' ' ' LEU . 4.4 mm-40 -54.88 -48.66 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -38.3 -43.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.85 -49.61 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 30' ' ' LEU . 25.6 tp -57.5 -55.28 36.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -51.08 -41.54 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.15 -18.34 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.07 -30.33 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 64' ' ' LEU . 57.6 t -80.63 -33.53 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.17 -36.28 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -72.97 -39.51 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 80' ' ' LEU . 5.1 tp -58.03 -51.33 70.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.25 -62.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -52.3 -40.65 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -56.63 121.74 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt -83.18 -49.83 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -60.13 -44.54 94.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.71 134.74 53.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -96.48 -54.25 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.7 p -134.05 174.36 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.526 ' HB2' HD22 ' A' ' 71' ' ' LEU . 25.5 tp -86.48 97.92 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -63.26 118.78 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.8 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.3 mm -116.83 149.32 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.8 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.2 mm? -127.2 107.68 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.754 HD13 ' SD ' ' A' ' 45' ' ' MET . 86.7 mt -75.34 124.86 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.85 122.97 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.6 mm -54.55 107.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -87.53 -46.47 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.84 -67.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -174.56 136.63 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.8 m -81.93 131.84 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.38 120.33 40.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.33 89.66 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.5 m -105.9 127.15 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -160.5 125.13 3.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 96' ' ' GLU . 2.5 tt -160.48 131.22 5.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 95' ' ' LEU . 27.4 mt-10 -32.25 95.69 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.667 0.746 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' LEU . 53.7 Cg_endo -69.75 139.4 40.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.8 p -129.0 95.95 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.94 144.83 17.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 109.68 2.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.734 2.289 . . . . 0.0 112.354 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -83.61 124.94 31.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 m -132.1 175.84 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -126.36 -48.27 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t 52.15 42.3 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.11 143.56 9.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -157.59 143.11 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -127.59 -53.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.59 132.27 2.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -112.55 158.01 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG23 ' HG3' ' A' ' 26' ' ' ARG . 89.9 t -104.32 100.99 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.2 108.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.857 HG21 HD21 ' A' ' 33' ' ' LEU . 93.5 t -112.86 118.7 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -99.99 131.69 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' HE1' HG21 ' A' ' 82' ' ' ILE . 40.0 m-85 -103.09 162.28 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -150.73 113.64 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.448 ' CE1' HG12 ' A' ' 86' ' ' ILE . 11.8 t-80 -135.55 118.66 16.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 46.94 49.83 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.0 -40.74 3.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.27 157.02 23.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.955 0.407 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 153.38 38.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -154.34 118.47 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.859 ' C ' HD22 ' A' ' 22' ' ' LEU . 58.3 mt -91.4 146.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.4 mm? -132.05 -179.56 5.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -138.66 110.11 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.7 m-85 -113.31 111.86 49.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.0 Cg_endo -69.77 115.7 4.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 25.5 mtm105 -54.42 146.96 30.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 136.51 39.13 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.345 -0.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.493 HG12 HD21 ' A' ' 64' ' ' LEU . 75.1 t -83.23 137.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -107.44 126.84 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.629 ' HA ' HD22 ' A' ' 64' ' ' LEU . 27.6 tp -49.35 -40.09 34.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.9 pt-20 -60.92 -43.66 98.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 23.4 m-20 -56.06 -51.79 66.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.857 HD21 HG21 ' A' ' 11' ' ' VAL . 10.1 mt -48.91 -43.67 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HG2' HD13 ' A' ' 47' ' ' LEU . 64.6 mtp85 -68.53 -54.06 19.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -43.86 -56.7 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 29.3 mmmt -52.89 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.05 -35.64 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.8 ttpt -73.42 -33.08 64.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.2 mt -77.19 -38.12 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -93.55 -36.01 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.05 27.85 19.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -150.37 149.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.5 m -78.06 114.4 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.426 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -134.63 150.15 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' C ' HD12 ' A' ' 47' ' ' LEU . 1.1 m-20 -73.59 163.51 27.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -119.57 100.84 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -107.23 110.8 22.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.89 141.48 37.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.525 HG22 HG22 ' A' ' 55' ' ' VAL . 22.4 p -112.13 117.84 33.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.73 -72.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -126.6 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -131.18 29.76 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -143.8 153.43 42.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.525 HG22 HG22 ' A' ' 50' ' ' THR . 65.6 t -103.95 138.64 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 9.4 mt -138.23 108.59 8.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 104.82 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 64' ' ' LEU . 6.1 mt -63.49 102.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.519 ' O ' HD21 ' A' ' 30' ' ' LEU . 32.0 p -121.97 -41.7 2.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -104.73 142.57 34.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -47.91 -44.51 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.49 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 30' ' ' LEU . 17.0 tp -59.39 -58.98 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.61 -43.03 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -76.75 -14.91 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.577 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -90.36 -30.9 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 HD12 ' A' ' 64' ' ' LEU . 72.7 t -79.1 -34.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.2 pt-20 -71.1 -37.76 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.6 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.65 -29.43 67.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -69.06 -46.77 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -58.37 -58.32 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.4 ptt85 -55.14 -28.06 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -62.35 129.33 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.78 -41.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -72.55 -49.67 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.7 mtp -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -126.02 -39.73 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.8 p -142.29 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 49' ' ' TYR . 23.2 tp -90.3 97.47 11.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.97 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.467 ' O ' HD13 ' A' ' 82' ' ' ILE . 71.6 tttt -63.24 126.94 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.805 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.4 mm -123.32 148.18 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.805 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.7 mm? -125.77 104.65 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 13' ' ' PHE . 29.7 mt -74.74 127.86 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.82 120.88 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.448 HG12 ' CE1' ' A' ' 15' ' ' HIS . 31.7 mm -48.73 112.11 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -96.84 -56.65 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.3 -138.86 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.2 p -146.63 165.85 28.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m 39.36 44.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -67.96 -48.99 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' THR . . . -129.18 -57.27 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ALA . 10.3 t 35.02 37.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -78.78 157.77 28.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 113.03 5.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -86.59 119.31 71.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.693 0.759 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.89 8.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.1 t -132.11 106.67 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 118.68 78.36 0.6 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -174.04 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.614 2.21 . . . . 0.0 112.381 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.9 p -170.18 159.7 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' GLY . 22.6 p -172.91 167.1 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -125.06 116.97 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 m -78.06 124.64 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.8 49.85 0.3 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -100.25 131.84 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m -111.53 84.9 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.01 126.75 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.51 171.68 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.659 HG23 ' HG3' ' A' ' 26' ' ' ARG . 91.8 t -112.02 104.82 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -68.1 107.08 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.683 HG21 HD21 ' A' ' 33' ' ' LEU . 99.2 t -107.71 123.28 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -102.39 120.33 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CD2' HD23 ' A' ' 22' ' ' LEU . 44.2 m-85 -98.48 141.98 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -136.14 134.28 38.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.469 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.5 t-80 -157.46 122.94 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 41.59 44.25 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.58 -32.88 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' HIS . 29.5 mt-10 -62.61 130.14 43.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -123.07 139.65 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmt-85 -151.96 119.55 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.798 ' C ' HD22 ' A' ' 22' ' ' LEU . 82.7 mt -100.52 142.87 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.3 mm? -128.24 -176.86 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.39 112.5 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 80.8 m-85 -114.98 111.39 45.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.759 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.77 110.59 2.6 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HG3' HG23 ' A' ' 9' ' ' VAL . 65.4 mtm180 -49.5 146.44 6.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 145.48 79.57 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.405 HG23 ' HG2' ' A' ' 26' ' ' ARG . 44.6 t -87.9 141.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -108.61 129.37 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 59' ' ' THR . 64.6 tp -53.2 -45.24 68.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.77 -37.83 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.67 -46.17 89.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.683 HD21 HG21 ' A' ' 11' ' ' VAL . 8.4 mt -56.84 -48.56 77.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HG2' HD13 ' A' ' 47' ' ' LEU . 46.8 mtp180 -64.2 -48.69 74.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -46.39 -54.83 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 32.7 mmmt -56.57 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -80.7 -30.82 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.6 mt -82.21 -36.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.19 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -89.86 -40.79 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.39 42.31 4.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -167.45 149.74 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -75.25 117.72 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.673 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.6 ptp -141.75 142.35 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.97 163.43 24.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.27 105.52 11.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.6 m80 -110.59 110.46 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CB ' HD13 ' A' ' 82' ' ' ILE . 2.3 p90 -104.26 126.45 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 1.005 HG22 HG22 ' A' ' 55' ' ' VAL . 53.0 p -94.7 118.65 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 16.2 t-20 -63.5 -70.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -121.58 -59.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.07 -31.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.005 HG22 HG22 ' A' ' 50' ' ' THR . 52.3 t -129.55 130.66 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.0 mp -116.61 106.24 48.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.7 101.71 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' A' ' 64' ' ' LEU . 7.1 mt -62.97 101.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.53 ' O ' HD21 ' A' ' 30' ' ' LEU . 38.6 p -113.0 -44.96 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.499 ' C ' HD22 ' A' ' 30' ' ' LEU . 58.9 p -112.39 154.8 25.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.64 -47.28 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -40.73 -44.03 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -63.35 -50.11 71.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.7 tp -54.54 -56.84 14.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.48 -38.89 31.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -79.02 -20.9 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -85.42 -29.06 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 64' ' ' LEU . 90.1 t -81.95 -34.92 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -72.26 -41.57 66.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -66.47 -29.1 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.78 -51.22 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.01 -54.5 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.6 ptt180 -58.04 -37.07 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -67.18 128.37 36.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.31 -47.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 17.8 p-80 -55.94 -39.56 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -85.14 118.74 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -33.1 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.9 p -139.04 164.32 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 49' ' ' TYR . 16.9 tp -86.53 95.09 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -60.21 126.09 26.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.779 ' C ' HD22 ' A' ' 83' ' ' LEU . 31.7 mm -119.64 145.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.1 mm? -127.48 105.83 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.673 HD13 ' SD ' ' A' ' 45' ' ' MET . 50.5 mt -75.0 135.11 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.64 122.69 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.469 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.7 mm -56.82 138.87 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -105.05 143.96 32.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.29 -77.75 0.11 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -155.01 139.24 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 t -99.13 135.87 39.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 53.0 tp60 -96.6 43.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . 68.26 42.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.0 m -51.35 -56.84 10.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -74.95 105.42 5.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 tp -114.17 116.66 29.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -104.51 135.53 19.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 172.41 12.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -171.91 152.07 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.31 88.64 0.81 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 174.6 9.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.383 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.4 t -87.67 131.99 34.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.0 t -165.05 156.27 14.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -41.62 124.07 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -140.39 135.64 32.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.55 -130.31 2.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -143.44 174.54 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -60.48 163.93 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.25 93.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.05 168.5 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 28' ' ' VAL . 69.1 t -106.3 99.9 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -62.05 106.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.813 HG21 HD21 ' A' ' 33' ' ' LEU . 87.7 t -112.68 125.81 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 32.6 ttmt -102.27 135.94 42.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 29.4 m-85 -107.44 157.52 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -149.46 123.2 9.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -158.22 125.71 5.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.64 24.97 12.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.82 -32.02 6.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.06 150.08 48.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 150.71 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -153.85 117.89 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 85.8 mt -97.84 128.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.954 HD12 ' HE2' ' A' ' 36' ' ' LYS . 2.3 mm? -110.68 -178.33 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -139.02 118.76 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 26.7 m-85 -118.1 111.12 39.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.97 2.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 28.7 mtm105 -51.66 146.56 13.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.3 Cg_endo -69.83 136.64 39.92 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.331 0.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 26' ' ' ARG . 60.5 t -85.32 139.93 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -111.15 126.8 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' HD22 ' A' ' 64' ' ' LEU . 62.0 tp -44.67 -50.61 9.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.08 -40.83 64.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -56.34 -50.49 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.813 HD21 HG21 ' A' ' 11' ' ' VAL . 10.2 mt -51.37 -47.91 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 47' ' ' LEU . 10.4 mtp-105 -66.0 -42.84 89.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -55.35 -51.79 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.954 ' HE2' HD12 ' A' ' 22' ' ' LEU . 7.5 mmmm -57.53 -60.14 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -49.16 -34.77 15.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.03 -34.75 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -49.57 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -88.02 -36.07 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.89 24.59 29.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -151.41 141.08 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -69.92 119.53 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.714 ' HG3' HD22 ' A' ' 84' ' ' LEU . 4.7 ptp -140.38 153.67 46.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.92 163.55 27.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.1 mp -122.11 101.38 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.4 m80 -107.69 110.63 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -103.56 140.95 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.618 HG22 HG22 ' A' ' 55' ' ' VAL . 37.9 p -108.08 143.35 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.1 t30 -94.31 -65.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.14 -68.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -133.03 24.96 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.3 mt -134.88 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 50' ' ' THR . 39.9 t -129.8 121.09 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.571 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -110.34 105.93 57.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 104.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -118.46 -34.51 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -123.03 157.74 32.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.453 ' OE1' HD23 ' A' ' 64' ' ' LEU . 4.0 tp-100 -55.72 -48.7 74.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.26 -43.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.49 -52.11 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 30' ' ' LEU . 24.2 tp -54.34 -55.11 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -52.17 -39.08 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -80.57 -21.93 41.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.684 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -83.67 -28.71 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 64' ' ' LEU . 89.2 t -80.56 -37.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.8 pt-20 -70.13 -38.19 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.684 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -68.03 -33.63 74.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.92 -52.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -51.72 -62.11 1.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 74' ' ' SER . 10.6 ptm180 -49.92 -39.64 40.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.9 m -62.49 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.9 mt -97.51 -48.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -59.91 -43.87 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ttp -72.28 104.12 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -69.49 -49.71 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.9 p -132.53 178.67 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 49' ' ' TYR . 18.3 tp -91.6 96.52 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -63.9 130.25 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.706 ' C ' HD22 ' A' ' 83' ' ' LEU . 30.4 mm -124.93 141.73 44.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.706 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.5 mm? -119.65 106.66 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.714 HD22 ' HG3' ' A' ' 45' ' ' MET . 84.4 mt -74.86 128.86 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.49 119.65 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -50.88 131.9 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -119.08 -45.82 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.55 -178.97 44.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -51.76 -61.48 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -144.72 149.8 36.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 92' ' ' ALA . 6.7 pt20 -85.82 -36.53 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 91' ' ' GLN . . . -110.43 98.65 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 80.2 p -73.42 90.7 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -162.14 156.62 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 95' ' ' LEU . 3.6 mm? -107.87 -41.17 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -173.0 143.89 1.14 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.624 0.726 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 131.33 20.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -98.13 92.23 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.34 68.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 122.44 9.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -83.24 97.97 9.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.1 m -95.53 90.54 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -112.01 159.01 18.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -39.14 -50.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.64 -172.51 23.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -131.95 128.81 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -82.14 171.01 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.07 78.61 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -120.96 169.36 10.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -109.58 102.38 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -65.3 123.6 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.881 HG21 HD21 ' A' ' 33' ' ' LEU . 86.7 t -124.28 109.48 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -93.14 119.99 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.674 ' CE2' HD13 ' A' ' 22' ' ' LEU . 23.7 m-85 -88.92 160.47 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.9 mt-10 -151.3 116.0 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.7 t-80 -145.75 131.46 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 40.19 40.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.5 -35.55 3.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' HIS . 28.3 mm-40 -63.93 157.65 24.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG2' ' CG ' ' A' ' 14' ' ' GLU . 40.5 mtpt -144.31 153.73 42.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -154.48 116.22 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 22' ' ' LEU . 98.6 mt -89.68 136.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.674 HD13 ' CE2' ' A' ' 13' ' ' PHE . 10.0 mp -123.2 171.52 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -137.45 116.2 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 73.4 m-85 -124.4 111.33 28.19 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.665 0.745 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 20.6 mtm105 -51.31 146.72 11.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.73 136.3 38.02 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.36 -0.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -82.1 141.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.54 132.99 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.32 -45.7 83.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.94 -36.76 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.84 -49.71 75.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HG21 ' A' ' 11' ' ' VAL . 8.4 mt -54.29 -45.88 72.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 13.2 mtp-105 -68.63 -54.06 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -43.59 -58.01 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HB3' HD21 ' A' ' 22' ' ' LEU . 24.2 mmmt -53.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -43.48 -34.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -72.92 -35.74 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 19.8 mt -76.62 -36.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.18 72.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -88.59 -39.56 14.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.4 26.87 12.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -150.09 150.65 32.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -79.05 108.46 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.7 ptp -129.1 153.28 47.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.57 163.75 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -118.68 107.0 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -112.59 110.22 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.2 p90 -102.12 134.87 44.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 55' ' ' VAL . 55.2 p -104.23 136.78 43.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -88.95 -63.54 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 33.9 m-20 -129.83 -74.87 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' HD23 ' A' ' 54' ' ' LEU . 14.6 mt-10 -126.81 28.39 5.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 53' ' ' GLU . 86.3 mt -140.24 171.07 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 50' ' ' THR . 47.1 t -126.67 124.9 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.9 mp -113.07 105.81 55.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.1 Cg_endo -69.78 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.74 100.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.0 p -116.21 -38.39 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.8 p -118.35 157.1 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -51.7 -49.19 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.47 -42.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.65 -53.99 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.3 tp -52.26 -53.93 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.7 -42.18 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -77.01 -18.76 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -87.3 -30.44 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 64' ' ' LEU . 57.7 t -82.49 -36.57 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.99 -37.78 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.62 -41.78 87.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 80' ' ' LEU . 17.9 tp -60.28 -42.0 94.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.24 -57.76 7.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.34 -33.45 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -58.69 137.35 57.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.33 -53.92 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -60.59 -50.48 73.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -55.7 149.94 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.0 -50.71 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.2 p -134.48 174.75 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.477 ' HG ' HD11 ' A' ' 82' ' ' ILE . 23.6 tp -90.75 96.52 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 82' ' ' ILE . 74.8 tttt -62.63 125.64 24.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.647 ' C ' HD22 ' A' ' 83' ' ' LEU . 30.1 mm -123.88 137.44 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.647 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.1 mm? -115.71 105.36 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 37.7 mt -74.65 126.22 30.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.58 126.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.559 HG12 ' CE1' ' A' ' 15' ' ' HIS . 50.0 mm -56.75 134.3 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -105.39 -52.86 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.24 -172.88 36.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.542 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -109.75 94.35 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.388 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.2 t -171.21 134.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.68 149.22 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.19 132.17 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 68.2 p -137.38 106.45 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.79 113.64 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -112.03 118.35 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -157.17 119.04 2.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.9 p 43.07 41.49 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -147.37 84.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 172.66 12.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.2 p -114.68 170.44 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.2 p -125.84 148.12 49.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.447 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -156.57 133.34 10.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -91.98 165.16 13.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.3 -101.21 0.2 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 m -52.23 -51.72 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -62.08 88.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.814 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.3 122.03 16.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.17 165.51 24.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.729 HG21 HG21 ' A' ' 28' ' ' VAL . 93.3 t -105.72 103.05 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -63.11 104.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.588 HG21 HD21 ' A' ' 33' ' ' LEU . 71.2 t -110.5 131.0 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -99.15 124.82 44.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HB3' HD11 ' A' ' 84' ' ' LEU . 13.6 m-85 -106.01 103.45 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -102.14 131.93 48.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.518 ' HB2' HD12 ' A' ' 84' ' ' LEU . 7.2 t-80 -147.72 112.3 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 11.9 mtm105 53.87 51.8 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.91 -39.41 3.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.28 159.59 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.93 147.45 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -149.9 116.42 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.751 ' C ' HD22 ' A' ' 22' ' ' LEU . 5.0 mm -88.99 135.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 ' HE2' ' A' ' 36' ' ' LYS . 3.1 mm? -124.85 -178.26 4.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -138.91 120.62 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 67.9 m-85 -121.44 111.24 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.694 0.759 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.1 Cg_endo -69.72 112.54 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 79.3 mtt180 -54.49 147.67 28.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.742 . . . . 0.0 110.821 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 129.81 15.3 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.305 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.729 HG21 HG21 ' A' ' 9' ' ' VAL . 59.0 t -72.13 134.36 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.642 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.8 139.19 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HA ' HD22 ' A' ' 64' ' ' LEU . 56.1 tp -59.59 -43.84 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.48 -38.03 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.09 -49.54 76.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 11' ' ' VAL . 15.5 mt -52.12 -46.29 65.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -65.53 -46.41 79.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -52.56 -52.66 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.848 ' HE2' HD12 ' A' ' 22' ' ' LEU . 4.9 mmmm -57.21 -59.95 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.34 -33.0 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' GLY . 57.0 tttt -74.98 -35.88 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.85 -34.62 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.93 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -93.13 -38.44 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 93.27 30.21 9.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -152.85 155.17 36.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 m -80.45 119.12 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.574 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -141.64 151.59 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.42 163.72 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.0 mp -118.04 111.51 19.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -116.44 110.53 18.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -105.29 136.15 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 55' ' ' VAL . 18.5 p -102.31 125.69 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.3 t30 -77.73 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -123.26 -75.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -126.76 -4.72 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -103.37 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 50' ' ' THR . 59.7 t -124.6 126.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -115.55 108.24 47.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 59' ' ' THR . 53.9 Cg_endo -69.78 96.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.71 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' PRO . 62.7 p -110.81 -45.59 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -110.32 154.52 23.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -53.12 -45.75 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -40.32 -45.3 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.64 -53.21 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' A' ' 30' ' ' LEU . 16.3 tp -51.42 -53.86 32.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.25 -37.78 48.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 70' ' ' LEU . 13.4 mtpt -75.7 -21.55 57.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -85.58 -35.69 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.3 -36.13 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.4 -42.88 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.547 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.37 -28.92 69.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 80' ' ' LEU . 33.8 tp -72.8 -40.56 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -64.96 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -84.27 -32.24 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -54.34 145.09 18.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.1 mt -109.07 -49.78 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -65.12 -47.05 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 ttp -63.65 140.23 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -97.77 -57.72 2.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 p -132.3 172.0 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 67' ' ' ALA . 14.8 tp -85.93 102.58 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -70.3 130.84 43.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.771 ' C ' HD22 ' A' ' 83' ' ' LEU . 39.9 mm -122.8 146.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.0 mm? -125.03 104.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.574 HD13 ' SD ' ' A' ' 45' ' ' MET . 25.8 mt -74.76 137.99 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.36 112.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.1 mm -40.65 135.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -148.65 134.55 19.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.27 -78.03 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 t -47.08 120.02 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.996 0.426 . . . . 0.0 110.828 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.3 m -123.02 129.04 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -158.01 122.72 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.64 148.04 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -161.81 137.6 7.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -113.25 120.53 41.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.465 HD23 ' HG3' ' A' ' 97' ' ' PRO . 15.7 tp -89.45 -60.46 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.9 tm-20 48.71 54.94 16.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.465 ' HG3' HD23 ' A' ' 95' ' ' LEU . 54.1 Cg_endo -69.73 -177.21 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -93.29 160.65 14.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -165.74 83.71 0.1 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 91.58 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.8 m -63.57 -57.1 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.2 p -110.47 117.37 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -103.34 102.57 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.905 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -99.21 131.48 45.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.92 113.42 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -174.56 155.88 2.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -57.33 141.76 45.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.89 -51.49 0.46 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -87.88 161.58 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 28' ' ' VAL . 91.3 t -99.69 110.41 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -70.22 114.8 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.728 HG21 HD21 ' A' ' 33' ' ' LEU . 85.1 t -119.36 126.39 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 7.4 ttmm -105.49 136.68 44.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.646 ' HE1' HG21 ' A' ' 82' ' ' ILE . 25.7 m-85 -108.45 156.03 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -146.12 127.6 15.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 2.2 t-80 -154.63 117.36 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 44.63 38.65 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.17 -32.91 5.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.16 136.01 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -132.63 142.83 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -154.76 120.42 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.809 ' C ' HD22 ' A' ' 22' ' ' LEU . 56.1 mt -96.38 146.91 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.2 mm? -131.33 179.72 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.78 113.48 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 57.6 m-85 -115.61 111.2 43.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.686 0.755 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.4 Cg_endo -69.74 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 44.5 mtm180 -53.92 146.97 25.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 136.05 36.97 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.386 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 9' ' ' VAL . 67.3 t -77.31 136.82 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -110.35 125.38 53.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 64' ' ' LEU . 53.1 tp -49.16 -50.34 38.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -51.75 -39.46 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.71 -53.11 61.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.728 HD21 HG21 ' A' ' 11' ' ' VAL . 12.2 mt -49.41 -47.63 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' HA ' ' A' ' 46' ' ' ASP . 50.6 mtp85 -65.23 -53.81 38.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -45.28 -53.21 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.2 mmmt -54.13 -64.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -49.1 -33.7 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -73.1 -34.62 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.52 -37.68 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.75 -49.71 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -87.87 -38.64 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.4 29.63 13.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -150.23 155.92 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 114.35 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.7 ptp -139.74 144.1 37.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HA ' ' NH2' ' A' ' 34' ' ' ARG . 7.6 t0 -73.41 163.57 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.9 105.8 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -108.53 110.47 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -102.18 134.55 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.656 HG22 HG22 ' A' ' 55' ' ' VAL . 41.6 p -98.95 117.54 33.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.6 t30 -67.15 -66.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -123.73 -70.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.8 -16.71 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.59 -179.46 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 50' ' ' THR . 39.8 t -128.0 133.13 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -120.21 105.66 41.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.42 101.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.5 p -116.51 -33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -126.77 160.1 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.499 ' OE1' HD23 ' A' ' 64' ' ' LEU . 4.4 mm-40 -54.71 -49.11 71.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -38.25 -45.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -65.51 -47.63 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD23 ' OE1' ' A' ' 61' ' ' GLN . 21.7 tp -58.63 -56.8 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.96 -39.21 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -77.65 -27.41 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.737 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -79.91 -27.98 39.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.467 HG23 HD12 ' A' ' 64' ' ' LEU . 99.1 t -81.38 -41.05 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.56 -36.75 83.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.737 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -67.62 -40.45 84.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 ' HE2' ' A' ' 77' ' ' MET . 6.8 tp -57.6 -45.51 85.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.89 -62.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -53.54 -31.24 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 t -68.54 113.02 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.0 mt -77.16 -47.03 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -61.31 -48.28 82.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.5 ' HE2' HD13 ' A' ' 71' ' ' LEU . 3.3 ttt -58.24 146.84 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -109.13 -46.49 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.6 p -143.56 171.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.6 tp -89.54 93.86 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -61.57 130.86 47.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.741 ' C ' HD22 ' A' ' 83' ' ' LEU . 18.9 mm -124.6 148.82 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -124.92 111.32 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.507 HD13 ' SD ' ' A' ' 45' ' ' MET . 59.5 mt -74.95 132.43 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 t -126.47 120.47 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.8 mm -52.56 109.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -125.67 124.91 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.88 59.8 0.52 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.5 t -131.54 95.94 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.998 0.427 . . . . 0.0 110.824 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.5 p -112.84 97.57 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.52 -46.38 48.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 49.56 39.44 17.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.6 t -87.87 128.76 35.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 0.7 OUTLIER -128.43 42.58 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.0 mt -150.65 168.07 25.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -152.7 150.15 24.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.75 67.35 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.2 t -101.56 51.18 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.77 -144.17 15.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -34.56 14.51 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.7 p 46.54 41.93 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 t -70.27 -50.79 35.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 m -82.87 152.98 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 p -121.75 82.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.77 102.0 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -89.2 -45.54 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -113.52 168.41 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.08 137.4 17.76 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.56 175.09 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 28' ' ' VAL . 89.6 t -114.96 98.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -67.71 102.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.89 HG21 HD21 ' A' ' 33' ' ' LEU . 77.8 t -104.41 131.93 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HE2' HD11 ' A' ' 21' ' ' ILE . 28.3 ttmt -106.94 121.56 44.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 84' ' ' LEU . 36.0 m-85 -102.95 105.2 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.14 125.64 51.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 t-80 -145.73 123.4 11.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 46.74 53.89 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.42 -38.63 2.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.02 151.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -146.93 129.55 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -135.84 116.04 13.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.667 HD11 ' HE2' ' A' ' 12' ' ' LYS . 67.2 mt -95.42 129.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.71 -176.26 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -137.9 110.43 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 71.2 m-85 -112.96 111.28 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.3 Cg_endo -69.72 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.602 ' HG3' HG23 ' A' ' 9' ' ' VAL . 69.5 mtm180 -47.54 148.28 2.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 142.92 72.25 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.371 -0.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 9' ' ' VAL . 46.2 t -86.95 143.83 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -116.41 133.48 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 64' ' ' LEU . 69.8 tp -50.44 -45.21 55.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.59 -40.17 90.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.17 -49.69 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.89 HD21 HG21 ' A' ' 11' ' ' VAL . 6.1 mt -54.07 -45.82 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HG2' HD13 ' A' ' 47' ' ' LEU . 60.7 mtp180 -67.63 -44.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -48.38 -56.19 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.6 mmtm -56.3 -60.41 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -33.13 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -76.9 -30.33 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 mt -83.7 -26.41 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.08 25.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -95.64 -46.32 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.57 35.34 2.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -157.32 153.11 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 37.61 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.479 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.3 ptp -49.1 146.84 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.85 163.78 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' A' ' 34' ' ' ARG . 11.1 mp -118.46 108.74 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -116.11 110.29 18.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -103.84 133.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.663 HG22 HG22 ' A' ' 55' ' ' VAL . 9.0 p -97.26 121.01 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 12.1 t-20 -68.01 -60.5 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -133.76 -58.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.4 -31.34 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 54' ' ' LEU . 24.0 mt -83.91 176.63 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 50' ' ' THR . 69.0 t -125.05 127.67 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.7 mp -112.88 106.87 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.8 101.58 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.66 100.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.2 p -115.21 -36.34 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 60.8 p -120.59 157.76 28.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -49.83 -49.31 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.73 -47.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.58 -46.2 89.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.1 tp -61.76 -57.7 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.52 -39.89 50.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.74 -16.73 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -90.26 -32.07 16.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.428 HG23 HD12 ' A' ' 64' ' ' LEU . 58.9 t -79.16 -34.02 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -71.13 -41.22 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -69.21 -32.18 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 80' ' ' LEU . 6.1 tp -63.25 -47.36 82.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.74 -56.67 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.43 -30.05 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 m -76.82 94.0 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.49 -58.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -43.64 -52.66 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 ttp -64.87 107.33 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -67.9 -54.3 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 p -131.77 174.8 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.614 ' HB2' HD22 ' A' ' 71' ' ' LEU . 12.4 tp -93.35 96.04 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.67 136.55 58.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.776 ' C ' HD22 ' A' ' 83' ' ' LEU . 32.8 mm -128.38 144.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.3 mm? -125.33 103.15 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 13' ' ' PHE . 9.2 mt -74.66 135.11 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.85 123.3 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.2 mm -51.55 104.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -74.43 110.44 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.84 -58.68 4.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -145.09 128.25 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.961 0.41 . . . . 0.0 110.817 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 t -130.81 152.11 50.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -86.32 161.07 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.15 -56.52 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.5 t -146.63 145.99 30.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -129.98 85.27 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.483 HD23 ' HD3' ' A' ' 97' ' ' PRO . 5.5 tt -160.72 132.51 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -135.67 104.6 9.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD3' HD23 ' A' ' 95' ' ' LEU . 53.8 Cg_endo -69.8 145.1 55.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -111.01 156.38 21.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -133.4 72.3 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -20.59 34.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.343 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.6 m -73.33 157.38 37.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 p -51.3 -44.61 61.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -113.14 82.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -126.06 103.99 8.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.25 -92.6 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -124.92 122.53 37.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -81.96 165.06 21.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.99 86.08 1.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.33 166.72 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 96.8 t -107.32 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.11 129.07 38.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.816 HG21 HD21 ' A' ' 33' ' ' LEU . 81.0 t -128.31 118.8 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.815 ' CE ' HD11 ' A' ' 21' ' ' ILE . 27.0 ttmt -94.08 121.81 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.753 ' CD2' HD13 ' A' ' 22' ' ' LEU . 9.4 m-85 -95.19 154.75 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' HB2' HD13 ' A' ' 83' ' ' LEU . 34.7 mt-10 -145.67 123.78 12.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -144.14 105.6 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 43.89 35.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.41 -39.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -61.94 127.06 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -122.41 144.53 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -150.12 117.39 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.815 HD11 ' CE ' ' A' ' 12' ' ' LYS . 7.2 mm -84.55 139.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 13' ' ' PHE . 6.8 mp -128.68 165.79 20.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -138.38 114.33 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 82.3 m-85 -119.78 115.4 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.1 Cg_endo -69.73 108.12 2.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HG2' HG23 ' A' ' 28' ' ' VAL . 20.7 mtp180 -45.65 146.8 1.71 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.69 136.78 40.32 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.367 -0.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.615 HG12 HD21 ' A' ' 64' ' ' LEU . 60.7 t -76.58 132.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HB2' ' CG ' ' A' ' 32' ' ' ASP . 27.5 mmtt -100.94 112.85 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 59' ' ' THR . 60.6 tp -42.21 -42.65 3.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.0 pt-20 -61.9 -42.0 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 3.7 m-20 -55.71 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.816 HD21 HG21 ' A' ' 11' ' ' VAL . 9.5 mt -49.83 -47.17 51.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HG2' HD13 ' A' ' 47' ' ' LEU . 75.6 mtp180 -67.8 -48.91 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -48.9 -53.76 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.625 ' HB3' HD21 ' A' ' 22' ' ' LEU . 27.5 mmmt -54.96 -64.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLY . 27.4 tttm -67.94 -36.19 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.12 -38.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.49 -47.3 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -89.65 -32.68 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 86.08 19.86 56.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -141.57 169.3 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 t -96.13 114.66 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.41 140.52 41.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' C ' HD12 ' A' ' 47' ' ' LEU . 7.1 m-20 -70.05 163.82 25.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -117.43 108.64 15.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -101.24 136.2 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 55' ' ' VAL . 17.7 p -103.9 140.08 38.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.1 t30 -89.92 -63.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -134.26 -65.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 54' ' ' LEU . 10.8 mt-10 -133.18 29.61 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 53' ' ' GLU . 87.0 mt -142.76 171.1 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 50' ' ' THR . 59.8 t -127.04 127.44 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -118.33 110.6 39.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 59' ' ' THR . 53.8 Cg_endo -69.78 92.16 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 64' ' ' LEU . 6.8 mt -50.98 92.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 57' ' ' PRO . 65.4 p -107.38 -42.66 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.1 p -114.32 151.5 32.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' OE1' HD23 ' A' ' 64' ' ' LEU . 4.3 mm-40 -47.39 -48.7 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -38.16 -45.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -49.25 74.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.615 HD21 HG12 ' A' ' 28' ' ' VAL . 18.3 tp -61.16 -56.61 18.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.95 -38.26 49.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -77.31 -21.49 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -84.6 -34.65 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.38 -35.09 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.4 pt-20 -74.93 -39.29 61.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -72.07 -25.34 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 80' ' ' LEU . 12.7 tp -70.27 -50.51 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.27 -58.05 8.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 13.3 ptm180 -55.23 -28.4 52.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.82 123.9 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.6 mt -87.64 -39.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -71.69 -43.5 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.9 mtp -68.86 140.55 55.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -96.78 -44.13 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.41 ' HA ' HD11 ' A' ' 71' ' ' LEU . 41.6 m -150.25 179.28 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 67' ' ' ALA . 22.8 tp -83.76 108.18 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.21 129.98 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.617 ' C ' HD22 ' A' ' 83' ' ' LEU . 17.2 mm -125.92 139.14 52.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.8 mm? -113.47 110.94 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -74.81 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.19 117.5 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm -53.36 133.24 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -93.57 -54.9 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.31 -97.39 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.0 t -167.57 106.54 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.5 p -120.11 110.73 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -102.9 118.4 36.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.54 131.49 46.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 t -104.65 -39.41 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -96.1 85.64 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 tt -127.08 81.62 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -173.36 135.95 0.7 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.707 0.765 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 155.33 66.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.0 m -48.33 -45.43 35.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 48.6 66.99 1.83 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.78 5.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.2 p -110.2 98.5 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.5 p -97.46 174.85 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.475 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.0 104.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 ttm-85 -68.14 112.6 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.992 HG21 HD21 ' A' ' 33' ' ' LEU . 93.3 t -110.67 109.82 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HD3' HD11 ' A' ' 21' ' ' ILE . 15.3 ttpp -86.58 126.41 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.1 m-85 -99.2 158.84 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.668 ' HB2' HD13 ' A' ' 83' ' ' LEU . 13.3 mt-10 -145.98 120.53 9.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -138.85 110.12 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 42.39 53.44 4.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 19' ' ' LYS . . . 89.25 -33.51 4.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.96 155.35 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' CD ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -137.67 148.52 45.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -149.94 116.7 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.519 ' C ' HD12 ' A' ' 22' ' ' LEU . 4.7 mm -92.35 141.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.712 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.1 mp -132.71 169.74 16.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -135.76 118.5 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 80.7 m-85 -126.52 111.39 23.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 112.66 3.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 74.9 mtt180 -49.4 148.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.75 133.45 25.67 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.351 0.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.406 HG23 ' HG2' ' A' ' 26' ' ' ARG . 23.6 t -75.62 142.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -113.27 130.55 56.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.592 ' CA ' HD22 ' A' ' 64' ' ' LEU . 57.6 tp -54.45 -45.45 73.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.3 pt-20 -59.84 -38.46 82.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.05 -49.64 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.992 HD21 HG21 ' A' ' 11' ' ' VAL . 7.1 mt -54.08 -48.74 70.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG2' HD13 ' A' ' 47' ' ' LEU . 58.9 mtp85 -64.86 -54.48 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -42.2 -60.12 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.573 ' HB3' HD21 ' A' ' 22' ' ' LEU . 25.8 mmmt -52.81 -64.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -43.53 -32.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 17.7 mt -76.71 -38.12 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.79 78.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -88.72 -38.13 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.14 20.96 37.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -144.5 151.71 39.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.7 p -75.25 115.33 14.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.9 ptp -137.66 146.02 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.1 163.44 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.5 mp -115.19 105.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 4.8 m80 -111.63 110.73 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -106.94 135.19 48.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 HG22 ' A' ' 55' ' ' VAL . 42.7 p -98.8 123.07 42.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -132.12 -66.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.23 -23.98 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 mt -91.09 176.69 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 50' ' ' THR . 40.5 t -124.87 127.55 72.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.1 mp -115.58 106.6 50.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.73 102.1 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 63' ' ' ASP . 8.6 mt -59.62 96.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.4 p -108.51 -39.76 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -120.15 158.54 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -48.62 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -39.39 -43.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -65.18 -50.31 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.592 HD22 ' CA ' ' A' ' 30' ' ' LEU . 26.3 tp -60.12 -56.91 15.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -50.11 -37.44 34.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -76.16 -27.51 56.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -80.35 -32.7 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 64' ' ' LEU . 45.6 t -79.74 -35.61 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -74.05 -39.27 63.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.41 -30.67 66.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.49 -55.77 18.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -51.56 -57.97 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' SER . 16.7 ptm180 -55.65 -42.2 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 2.3 m -62.84 123.29 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.72 -53.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.435 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.3 p80 -49.61 -51.73 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -62.35 129.29 40.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -90.58 -45.97 8.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.5 p -141.55 173.75 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.776 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.0 tp -85.37 96.7 9.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -61.81 121.52 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.849 ' C ' HD22 ' A' ' 83' ' ' LEU . 42.5 mm -118.25 152.36 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.849 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -130.77 104.38 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.463 HD22 ' HG3' ' A' ' 45' ' ' MET . 34.9 mt -74.88 128.97 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.9 122.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.0 mm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 86.9 t -108.47 110.56 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 13.8 ttm105 -75.35 126.36 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.766 HG21 HD21 ' A' ' 33' ' ' LEU . 94.4 t -126.26 109.06 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -88.56 128.57 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.773 ' CE2' HD13 ' A' ' 22' ' ' LEU . 15.5 m-85 -97.17 161.44 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -151.14 122.18 7.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.512 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.9 t-80 -150.69 132.83 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 39.13 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . 104.23 -37.12 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.521 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pt-20 -62.16 157.29 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 18' ' ' GLU . 50.1 mttt -143.3 147.7 35.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -146.68 118.17 7.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 22' ' ' LEU . 71.0 mt -90.19 136.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.773 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -123.42 168.92 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -135.39 116.58 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 85.6 m-85 -124.54 112.22 27.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 113.6 3.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 60.3 mtm180 -50.99 145.91 11.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 139.29 53.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.323 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.9 141.0 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -110.06 128.32 55.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.556 ' CA ' HD22 ' A' ' 64' ' ' LEU . 60.1 tp -51.25 -45.19 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.06 -41.93 75.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.9 -49.29 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 HG21 ' A' ' 11' ' ' VAL . 7.4 mt -53.33 -48.73 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HG2' HD13 ' A' ' 47' ' ' LEU . 39.4 mtp180 -65.69 -55.11 19.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -42.86 -58.58 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.542 ' HB3' HD21 ' A' ' 22' ' ' LEU . 22.5 mmmt -53.28 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -44.76 -35.26 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -71.49 -35.41 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mt -77.18 -38.26 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.48 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 2.9 m-85 -87.78 -38.57 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.8 41.19 7.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -167.73 144.79 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -69.29 115.23 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.59 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.0 ptp -138.37 145.61 41.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.72 163.54 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.2 mp -118.16 104.84 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -110.58 110.7 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.7 p90 -104.26 132.5 50.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.717 HG22 HG22 ' A' ' 55' ' ' VAL . 39.1 p -99.07 121.88 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.7 t30 -69.89 -56.83 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -133.35 -63.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -129.48 -30.25 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.83 -179.11 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 50' ' ' THR . 45.7 t -130.4 131.44 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.4 mp -118.79 106.16 44.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.91 98.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 57' ' ' PRO . 65.0 p -111.48 -41.81 4.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -113.62 159.28 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' NE2' HD23 ' A' ' 64' ' ' LEU . 33.7 tp60 -56.48 -47.42 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -39.99 -42.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -51.94 58.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' CA ' ' A' ' 30' ' ' LEU . 30.1 tp -53.95 -55.58 25.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.8 -40.96 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -77.31 -19.03 56.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -88.32 -28.17 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 64' ' ' LEU . 87.8 t -81.74 -31.95 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 9.1 pt-20 -72.52 -39.24 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -68.61 -36.06 78.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 80' ' ' LEU . 5.6 tp -60.79 -50.81 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.5 -61.97 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -51.74 -38.02 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 77' ' ' MET . 3.6 m -67.32 90.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -53.47 -46.24 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.468 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 7.2 p80 -62.59 -47.09 85.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.401 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 0.5 OUTLIER -54.82 108.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -67.5 -50.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.0 p -149.21 176.98 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' HD22 ' A' ' 71' ' ' LEU . 21.9 tp -86.15 95.82 9.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -61.12 125.86 25.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.846 ' C ' HD22 ' A' ' 83' ' ' LEU . 44.8 mm -121.08 151.91 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.846 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.5 mm? -131.12 103.87 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' HG3' ' A' ' 45' ' ' MET . 36.8 mt -74.72 124.95 27.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -122.04 120.43 61.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.512 HG12 ' CE1' ' A' ' 15' ' ' HIS . 34.4 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 28' ' ' VAL . 74.7 t -97.96 103.89 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 9.0 ttm105 -66.08 113.39 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 33' ' ' LEU . 90.0 t -118.82 119.95 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -100.67 133.35 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' HE1' HG21 ' A' ' 82' ' ' ILE . 26.6 m-85 -105.17 154.9 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -148.2 117.96 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 t-80 -145.71 126.26 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 41.42 44.39 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.58 -32.6 4.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 15' ' ' HIS . 70.1 mt-10 -62.15 147.51 47.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -139.58 143.2 37.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -153.79 122.01 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.751 ' C ' HD22 ' A' ' 22' ' ' LEU . 40.1 mt -100.91 144.12 13.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.751 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.2 mm? -130.28 178.91 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -138.47 109.92 6.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 43.2 m-85 -113.01 114.47 48.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.75 115.56 4.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.379 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 22.9 mtp180 -53.09 145.58 23.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 141.89 67.84 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.346 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 9' ' ' VAL . 98.5 t -84.87 133.1 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -102.78 122.81 45.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.7 tp -45.08 -51.27 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -52.48 -38.87 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -59.51 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 11' ' ' VAL . 9.5 mt -55.35 -49.16 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HG2' HD13 ' A' ' 47' ' ' LEU . 31.2 mtp180 -64.84 -45.34 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -51.75 -53.65 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 44.2 mmtt -53.86 -64.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -36.03 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.72 -33.77 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.42 -37.36 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -86.99 -38.19 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.15 39.94 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -167.38 143.83 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -73.54 117.39 15.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.645 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -136.29 151.15 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.74 163.42 27.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD13 ' HG2' ' A' ' 34' ' ' ARG . 10.4 mp -121.71 100.6 7.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -106.12 110.56 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.03 136.66 44.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.739 HG22 HG22 ' A' ' 55' ' ' VAL . 36.2 p -105.1 140.78 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -131.72 -67.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -133.83 28.97 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -141.77 168.85 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 50' ' ' THR . 61.3 t -124.57 128.39 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -117.98 106.04 46.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 100.01 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 64' ' ' LEU . 8.7 mt -59.85 102.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.6 p -113.01 -44.63 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -112.58 157.88 20.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.539 HE21 HD23 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -55.22 -47.76 74.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -41.6 -43.11 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.78 -54.85 32.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD23 HE21 ' A' ' 61' ' ' GLN . 17.1 tp -50.23 -52.05 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.03 -40.25 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -72.1 -26.56 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.52 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -81.82 -34.26 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.2 t -75.75 -39.69 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.3 pt-20 -68.4 -43.33 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.31 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 80' ' ' LEU . 9.0 tp -61.17 -54.34 45.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -53.28 -60.34 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -55.62 -39.34 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 m -63.42 129.61 40.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mt -89.52 -48.9 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.477 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.0 p80 -54.15 -44.22 71.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.9 ttp -84.63 112.53 20.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -79.82 -45.85 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.0 p -125.74 177.65 6.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.535 ' HB2' HD22 ' A' ' 71' ' ' LEU . 15.3 tp -97.0 97.77 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -64.14 125.64 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.806 ' C ' HD22 ' A' ' 83' ' ' LEU . 34.4 mm -121.46 144.46 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -124.22 105.17 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.645 HD13 ' SD ' ' A' ' 45' ' ' MET . 64.3 mt -74.91 131.82 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.61 122.07 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 t -106.28 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -66.26 118.4 9.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.644 HG21 HD21 ' A' ' 33' ' ' LEU . 63.7 t -123.26 117.51 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.473 ' HE2' HD11 ' A' ' 21' ' ' ILE . 28.6 ttmt -98.32 132.3 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 21.4 m-85 -101.43 161.43 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -151.89 117.73 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.51 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.8 t-80 -147.5 130.63 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 45.03 33.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' CE ' ' A' ' 19' ' ' LYS . . . 93.38 -32.74 5.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.524 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.16 156.8 20.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -141.73 146.22 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -153.46 117.27 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.793 ' C ' HD22 ' A' ' 22' ' ' LEU . 81.9 mt -95.12 145.44 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.3 mm? -130.81 -179.84 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -138.59 111.88 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 74.3 m-85 -116.4 112.0 41.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.693 0.759 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 115.47 4.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.565 ' HG2' HG23 ' A' ' 28' ' ' VAL . 21.2 mtp180 -53.53 145.54 28.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.682 ' HB2' ' HZ1' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.76 147.61 85.01 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.353 -0.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.565 HG23 ' HG2' ' A' ' 26' ' ' ARG . 40.9 t -90.17 141.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.682 ' HZ1' ' HB2' ' A' ' 27' ' ' PRO . 11.1 mmtm -111.17 125.38 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 64' ' ' LEU . 53.9 tp -48.52 -43.28 35.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -59.53 -40.22 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.482 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 9.9 t0 -57.81 -55.37 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 11' ' ' VAL . 9.8 mt -47.51 -47.49 27.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -64.56 -53.01 54.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -43.82 -59.75 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 23.0 mmmt -51.91 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -48.15 -32.93 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -73.23 -35.85 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -77.59 -35.17 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.97 64.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -88.55 -38.34 14.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.38 7.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -160.23 148.51 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 p -73.77 116.31 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 84' ' ' LEU . 7.4 ptp -137.92 146.88 43.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.84 163.45 28.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -119.28 102.75 8.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -108.12 110.73 22.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CB ' HD13 ' A' ' 82' ' ' ILE . 1.8 p90 -105.75 128.42 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.913 HG22 HG22 ' A' ' 55' ' ' VAL . 31.0 p -95.89 125.94 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -70.82 -58.67 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -134.25 -59.25 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.35 -31.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.26 178.64 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.913 HG22 HG22 ' A' ' 50' ' ' THR . 79.7 t -129.78 128.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -114.65 106.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.7 100.91 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.87 101.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p -115.28 -41.25 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.4 p -111.9 153.26 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.505 HE21 HD23 ' A' ' 64' ' ' LEU . 2.1 tm0? -52.89 -46.92 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -42.6 -44.52 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.22 -49.71 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.3 tp -54.58 -56.46 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.45 -38.14 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -76.94 -20.47 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.18 -25.24 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -85.01 -30.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -75.68 -38.25 58.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -72.0 -30.72 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 80' ' ' LEU . 6.9 tp -66.28 -51.14 60.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.22 -58.94 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 74' ' ' SER . 12.6 ptm180 -53.85 -39.67 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.3 m -58.86 117.87 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.97 -44.83 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.564 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.0 p80 -62.14 -40.51 96.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.464 ' HE3' ' HA ' ' A' ' 80' ' ' LEU . 2.3 ttp -76.19 132.51 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -53.36 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -127.91 167.84 16.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.603 ' HB2' HD22 ' A' ' 71' ' ' LEU . 13.3 tp -85.05 104.22 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -67.58 122.64 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.804 ' C ' HD22 ' A' ' 83' ' ' LEU . 24.6 mm -120.14 145.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.5 mm? -125.44 105.55 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD13 ' SD ' ' A' ' 45' ' ' MET . 48.3 mt -74.83 126.83 31.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.8 t -124.87 122.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 15' ' ' HIS . 28.9 mm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 95.2 t -114.17 94.71 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -61.13 125.42 23.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 33' ' ' LEU . 87.0 t -125.92 105.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.565 ' HD2' HD11 ' A' ' 21' ' ' ILE . 24.9 tttt -85.4 123.34 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.681 ' CE2' HD13 ' A' ' 22' ' ' LEU . 16.0 m-85 -93.91 160.96 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -148.27 136.19 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -157.96 107.34 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 38.96 53.61 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.82 -39.16 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 145.09 53.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -143.54 147.66 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -153.76 116.96 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.565 HD11 ' HD2' ' A' ' 12' ' ' LYS . 68.8 mt -90.78 131.71 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.1 mp -117.9 169.95 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -137.55 111.4 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 85.4 m-85 -118.95 112.05 36.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.8 2.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.641 ' HG2' HG23 ' A' ' 28' ' ' VAL . 26.7 mtp180 -46.14 148.07 1.63 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.7 140.01 57.82 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.387 -0.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.699 HG12 HD21 ' A' ' 64' ' ' LEU . 93.5 t -83.99 140.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ASP . 21.1 mmtp -112.85 114.11 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 59' ' ' THR . 21.9 tp -39.02 -47.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 6.6 pt-20 -55.12 -43.05 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 13.7 t0 -56.54 -51.59 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 11' ' ' VAL . 6.7 mt -51.0 -47.31 61.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -64.45 -55.32 21.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -41.6 -60.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HB3' HD21 ' A' ' 22' ' ' LEU . 24.2 mmmt -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -45.01 -30.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLY . 30.1 tttm -77.88 -36.61 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mt -74.84 -29.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -48.43 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -90.11 -45.66 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 113.14 0.53 25.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -125.32 157.44 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.76 36.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.874 ' HG3' HD22 ' A' ' 84' ' ' LEU . 4.9 ptp -45.19 142.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.13 163.34 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.3 mp -117.79 103.25 9.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.433 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -111.71 110.6 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.723 ' HB3' HD13 ' A' ' 82' ' ' ILE . 1.9 p90 -103.65 139.61 38.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.574 HG22 HG22 ' A' ' 55' ' ' VAL . 12.8 p -108.41 135.01 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -86.54 -75.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -108.44 -75.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.95 13.29 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -116.9 -177.77 3.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.574 HG22 HG22 ' A' ' 50' ' ' THR . 59.7 t -135.09 133.72 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.0 mp -128.24 109.34 19.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 106.64 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.26 95.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' HD21 ' A' ' 30' ' ' LEU . 20.0 p -106.97 -46.69 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.5 p -110.7 158.82 18.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.58 -42.48 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -67.41 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.699 HD21 HG12 ' A' ' 28' ' ' VAL . 27.3 tp -56.25 -49.29 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.27 -40.66 74.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -75.27 -20.34 59.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -86.07 -32.02 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 64' ' ' LEU . 42.5 t -80.73 -42.92 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -63.93 -32.48 74.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -76.32 -32.06 58.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.12 -53.97 37.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.75 -54.33 39.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.66 -35.32 79.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -69.33 100.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.62 -52.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.504 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -45.91 -50.75 14.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.87 158.26 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -111.01 -55.34 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.9 p -136.79 176.83 8.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.6 tp -87.08 94.67 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -63.19 123.33 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 49' ' ' TYR . 12.2 mm -122.24 143.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -117.89 106.65 13.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.874 HD22 ' HG3' ' A' ' 45' ' ' MET . 84.5 mt -74.93 117.0 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.6 127.87 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.588 HG23 ' HG3' ' A' ' 26' ' ' ARG . 93.5 t -115.75 102.17 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -67.07 114.7 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.839 HG21 HD21 ' A' ' 33' ' ' LEU . 94.6 t -112.21 114.48 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.519 ' HD3' HD11 ' A' ' 21' ' ' ILE . 3.4 ttpm? -90.53 127.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.2 m-85 -98.32 158.97 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 83' ' ' LEU . 7.8 mt-10 -150.31 121.0 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 84' ' ' LEU . 46.9 t-80 -147.81 112.36 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HD2' ' ND1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER 52.03 41.11 29.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.18 -35.62 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.06 150.8 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -132.21 149.04 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 17.3 mmt180 -148.17 116.35 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.534 ' C ' HD12 ' A' ' 22' ' ' LEU . 5.4 mm -91.79 141.61 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.3 mp -133.25 166.71 21.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -133.7 115.89 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 87.7 m-85 -124.03 111.36 28.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.725 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 110.08 2.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.588 ' HG3' HG23 ' A' ' 9' ' ' VAL . 54.0 mtm180 -49.45 147.01 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 131.97 20.84 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.353 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 26' ' ' ARG . 48.9 t -75.75 144.11 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -108.3 122.03 46.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.64 ' HA ' HD22 ' A' ' 64' ' ' LEU . 57.0 tp -50.23 -43.1 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.68 -39.69 94.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -48.96 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.839 HD21 HG21 ' A' ' 11' ' ' VAL . 6.5 mt -53.29 -48.83 68.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -62.94 -54.55 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -44.8 -56.75 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.587 ' HB3' HD21 ' A' ' 22' ' ' LEU . 1.3 mmmp? -53.62 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -42.98 -36.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.4 ttpt -69.99 -38.0 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 36' ' ' LYS . 18.6 mt -74.48 -38.67 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.31 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 32.9 m-85 -87.73 -36.22 17.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.67 26.34 17.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -151.7 148.03 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 m -75.82 120.75 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.669 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.9 ptp -142.34 150.52 40.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.04 163.66 26.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.1 mp -117.77 102.88 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.6 m80 -106.84 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -104.0 133.7 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.685 HG22 HG22 ' A' ' 55' ' ' VAL . 31.1 p -103.44 137.7 41.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.8 t30 -87.55 -72.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -120.37 -68.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -134.27 32.56 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mt -144.27 169.11 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 50' ' ' THR . 56.4 t -122.34 134.4 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.6 mp -124.72 107.58 28.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.75 94.59 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -55.93 98.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' HD21 ' A' ' 30' ' ' LEU . 18.7 p -116.36 -35.67 4.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.471 ' C ' HD22 ' A' ' 30' ' ' LEU . 67.6 p -115.27 157.81 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.5 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.3 -42.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -64.62 -52.28 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD22 ' HA ' ' A' ' 30' ' ' LEU . 23.5 tp -57.7 -55.19 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -53.44 -38.04 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -77.18 -23.61 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -82.04 -37.13 26.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 64' ' ' LEU . 61.6 t -73.42 -36.81 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.01 -41.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.82 -32.8 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 80' ' ' LEU . 9.6 tp -63.15 -54.87 30.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.28 -59.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.6 ptm180 -53.5 -42.89 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 4.2 t -52.41 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.44 -54.09 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.458 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.5 p80 -59.38 -51.13 71.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -66.48 125.42 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -93.91 -48.76 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.3 p -125.98 175.25 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB2' HD22 ' A' ' 71' ' ' LEU . 14.6 tp -93.09 95.29 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -60.66 131.94 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.728 ' C ' HD22 ' A' ' 83' ' ' LEU . 28.0 mm -129.01 140.85 48.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.7 mm? -118.33 104.42 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.669 HD22 ' HG3' ' A' ' 45' ' ' MET . 78.6 mt -74.75 131.71 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.9 139.03 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -105.07 105.29 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.86 109.92 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.924 HG21 HD21 ' A' ' 33' ' ' LEU . 92.5 t -113.5 125.15 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 18.8 ttmt -105.56 132.85 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 23.6 m-85 -104.38 153.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -143.64 130.63 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -154.69 105.38 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 45.88 42.04 8.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.07 -32.24 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 121.62 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -122.48 139.26 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -154.41 120.21 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.784 ' C ' HD22 ' A' ' 22' ' ' LEU . 93.7 mt -98.25 145.74 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.784 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.1 mm? -131.8 179.6 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -139.08 111.24 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 67.2 m-85 -112.51 111.46 52.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.7 116.84 4.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 27.6 mtm105 -56.48 147.49 49.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 128.95 13.45 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.358 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 64.5 t -77.89 140.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -107.8 136.92 46.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 64' ' ' LEU . 61.5 tp -56.73 -50.22 72.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -54.53 -38.4 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 14.1 t0 -57.79 -51.84 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.924 HD21 HG21 ' A' ' 11' ' ' VAL . 9.0 mt -51.11 -47.35 61.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG2' HD13 ' A' ' 47' ' ' LEU . 49.1 mtp180 -65.74 -46.45 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -47.79 -56.88 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 31.9 mmmt -53.96 -64.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -45.04 -32.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 31.6 tttp -76.81 -34.37 57.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.6 mt -75.75 -38.55 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.99 -48.15 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -87.16 -39.43 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.68 25.64 24.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -150.54 145.51 26.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.5 t -73.25 120.8 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.9 ' SD ' HD13 ' A' ' 84' ' ' LEU . 7.6 ptp -141.81 153.18 44.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -76.41 163.54 26.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.4 mp -121.19 99.68 6.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.435 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -105.29 110.68 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 67' ' ' ALA . 2.0 p90 -105.38 136.8 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.846 HG22 HG22 ' A' ' 55' ' ' VAL . 46.8 p -103.72 142.9 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -95.79 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -128.46 -69.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -131.78 29.1 4.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mt -145.38 163.26 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 50' ' ' THR . 73.5 t -118.1 132.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -120.21 105.93 41.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.72 97.45 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.2 mt -56.73 98.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' PRO . 49.0 p -110.64 -42.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.468 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.4 p -117.27 160.33 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -56.62 -46.8 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -40.71 -44.86 2.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.2 -52.89 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.6 tp -52.33 -54.48 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -51.3 -38.17 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.44 -25.08 50.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -84.07 -27.93 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 64' ' ' LEU . 85.6 t -80.05 -38.86 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.0 pt-20 -65.21 -39.37 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.45 -27.34 63.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 14.9 tp -66.8 -46.98 73.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -58.52 -51.37 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.97 -38.75 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.2 p -66.74 115.07 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -80.77 -64.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -43.3 -38.83 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.471 ' HE2' ' HA ' ' A' ' 71' ' ' LEU . 3.2 ttt -67.52 96.37 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -54.34 -44.7 72.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 p -155.19 178.28 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 49' ' ' TYR . 20.4 tp -84.49 96.54 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -63.77 130.66 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.778 ' C ' HD22 ' A' ' 83' ' ' LEU . 29.1 mm -124.18 145.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.6 mm? -123.55 105.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.9 HD13 ' SD ' ' A' ' 45' ' ' MET . 74.5 mt -74.82 131.83 41.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.22 119.66 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 11' ' ' VAL . 93.3 t -108.62 90.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -53.8 130.87 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.861 HG21 HD21 ' A' ' 33' ' ' LEU . 42.3 t -132.44 109.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HE2' HD11 ' A' ' 21' ' ' ILE . 25.9 ttmt -92.45 114.45 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.744 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.4 m-85 -85.82 155.14 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -148.75 117.69 6.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -134.01 91.61 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 43.95 51.79 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.49 -41.41 2.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.13 116.01 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.365 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -115.67 134.9 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.95 117.15 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.677 HD11 ' HE2' ' A' ' 12' ' ' LYS . 58.7 mt -90.64 138.72 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 13' ' ' PHE . 8.1 mp -125.48 166.03 17.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -138.24 116.42 11.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.4 m-85 -121.4 113.45 32.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.668 0.747 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.14 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.5 mtp-105 -47.51 147.71 2.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.85 139.33 54.25 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.646 HG12 HD21 ' A' ' 64' ' ' LEU . 80.5 t -88.86 141.0 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -112.74 136.8 51.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 64' ' ' LEU . 56.2 tp -57.53 -43.73 84.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.36 -37.55 86.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -48.03 83.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.861 HD21 HG21 ' A' ' 11' ' ' VAL . 5.9 mt -55.69 -50.1 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.657 ' HG2' HD13 ' A' ' 47' ' ' LEU . 72.4 mtp180 -61.32 -53.03 61.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -42.75 -56.67 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 1.3 mmmp? -54.9 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -43.54 -32.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.3 tttt -75.88 -33.87 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt -77.64 -40.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.62 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.04 -21.18 19.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 72.22 12.4 76.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.987 ' HG3' ' HE3' ' A' ' 45' ' ' MET . 1.5 pt20 -137.86 133.71 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 129.11 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.987 ' HE3' ' HG3' ' A' ' 43' ' ' GLN . 3.6 ptp -150.45 146.09 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.37 163.68 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.657 HD13 ' HG2' ' A' ' 34' ' ' ARG . 10.1 mp -117.84 108.76 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -114.14 110.92 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -103.16 137.48 41.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.699 HG22 HG22 ' A' ' 55' ' ' VAL . 9.9 p -105.43 122.64 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -71.24 -62.18 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -125.8 -75.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.83 -15.5 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.97 -178.35 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 50' ' ' THR . 61.8 t -135.01 131.35 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -121.73 110.22 33.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 105.46 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 16.7 mt -61.96 91.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 p -106.83 -40.37 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -117.22 154.19 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -51.38 -46.77 62.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -40.24 -41.9 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.98 -49.46 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.646 HD21 HG12 ' A' ' 28' ' ' VAL . 33.1 tp -56.61 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.51 -39.38 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -75.49 -20.8 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -87.5 -32.88 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 64' ' ' LEU . 69.2 t -79.37 -33.35 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.84 -36.11 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -74.21 -31.85 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 71' ' ' LEU . 3.4 tp -62.79 -49.22 75.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.51 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -53.79 -30.34 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.6 p -82.81 113.04 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' HIS . 37.4 mm -73.57 -71.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ILE . 4.2 p80 -34.54 -42.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 tpp -59.42 108.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.22 -42.04 99.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -167.1 -178.69 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.562 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.2 tp -83.88 94.63 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -62.39 129.88 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.721 ' C ' HD22 ' A' ' 83' ' ' LEU . 17.1 mm -125.23 145.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.0 mm? -121.92 107.78 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' HG3' ' A' ' 45' ' ' MET . 56.6 mt -74.86 130.58 39.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.94 119.73 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.487 ' CD1' ' NE2' ' A' ' 43' ' ' GLN . 29.6 mm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.506 HG22 ' HE ' ' A' ' 26' ' ' ARG . 83.9 t -115.8 90.09 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.27 126.75 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.812 HG21 HD21 ' A' ' 33' ' ' LEU . 93.9 t -124.82 116.94 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HD3' HD11 ' A' ' 21' ' ' ILE . 17.9 ttpp -95.07 113.36 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.81 ' CE2' HD13 ' A' ' 22' ' ' LEU . 11.6 m-85 -85.38 157.8 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.545 ' HB2' HD13 ' A' ' 83' ' ' LEU . 7.6 mt-10 -151.29 119.15 6.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.3 t-80 -145.64 106.41 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 57.16 47.84 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.84 -46.29 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 9.9 mm-40 -62.46 158.14 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -147.69 161.1 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -150.14 116.43 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.511 HD11 ' HD3' ' A' ' 12' ' ' LYS . 5.2 mm -83.99 134.77 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.81 HD13 ' CE2' ' A' ' 13' ' ' PHE . 7.5 mp -127.76 167.27 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -137.78 116.31 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 79.5 m-85 -122.49 111.47 31.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 114.3 3.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.387 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 78.1 mtt180 -50.14 146.93 7.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 131.44 19.29 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.328 -0.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 9' ' ' VAL . 90.5 t -78.97 135.77 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -105.2 135.16 47.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 64' ' ' LEU . 35.5 tp -59.54 -42.46 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.0 pt-20 -61.26 -35.58 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 1.2 m-20 -62.76 -46.47 87.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.812 HD21 HG21 ' A' ' 11' ' ' VAL . 7.4 mt -56.49 -47.44 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -65.59 -55.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -43.75 -57.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HB3' HD21 ' A' ' 22' ' ' LEU . 6.6 mmmm -53.79 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -45.08 -38.02 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.1 tttm -68.79 -36.28 78.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.41 -38.76 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.03 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.47 -38.08 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.38 27.15 16.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -153.0 144.36 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -71.75 123.63 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.796 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.9 ptp -144.22 146.21 32.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.94 163.7 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.8 mp -120.02 99.84 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -106.04 110.81 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -103.33 136.12 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 HG22 ' A' ' 55' ' ' VAL . 43.7 p -105.78 138.41 42.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 9.4 t-20 -89.7 -71.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -120.17 -69.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 54' ' ' LEU . 17.2 mt-10 -133.28 30.33 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 53' ' ' GLU . 80.5 mt -140.04 173.0 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 50' ' ' THR . 72.3 t -127.86 127.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.0 mp -116.59 105.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.02 97.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.3 p -109.24 -44.24 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -112.14 160.6 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -58.04 -48.02 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -38.63 -43.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.94 -54.24 33.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 30' ' ' LEU . 24.5 tp -49.16 -51.69 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.12 -42.72 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -74.14 -21.62 59.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -82.57 -35.76 26.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' LEU . 65.4 t -76.03 -37.86 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -67.28 -43.74 81.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -65.09 -35.46 81.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 80' ' ' LEU . 10.7 tp -60.06 -56.31 23.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -47.85 -59.96 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.3 ptm180 -52.87 -38.88 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.8 t -60.76 109.6 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mt -73.53 -59.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -50.37 -52.15 39.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttt -57.92 133.43 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.8 m -131.1 -178.98 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.516 ' HB2' HD22 ' A' ' 71' ' ' LEU . 17.3 tp -83.77 102.37 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -69.12 126.07 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.749 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.9 mm -123.18 142.57 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -121.27 107.1 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.796 HD22 ' HG3' ' A' ' 45' ' ' MET . 38.2 mt -74.73 130.43 39.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.5 t -128.95 118.31 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.49 HG12 ' CE1' ' A' ' 15' ' ' HIS . 33.5 mm . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.426 ' CG2' HG21 ' A' ' 28' ' ' VAL . 84.0 t -98.96 101.91 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -64.32 111.51 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.879 HG21 HD21 ' A' ' 33' ' ' LEU . 87.4 t -114.58 120.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -98.07 132.09 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 17.3 m-85 -102.08 157.99 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -146.53 131.73 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -157.01 117.11 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 42.9 43.38 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.64 -34.25 4.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -62.03 145.82 52.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -136.02 149.1 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -157.22 116.28 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.544 ' C ' HD22 ' A' ' 22' ' ' LEU . 72.4 mt -96.59 128.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.593 HD23 ' CE2' ' A' ' 13' ' ' PHE . 2.7 mm? -111.55 -179.04 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -139.27 115.52 10.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 53.3 m-85 -118.57 110.69 38.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.75 117.56 5.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 26.3 mtm180 -54.78 147.06 33.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.78 130.82 17.6 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 85.8 t -80.34 138.09 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -108.73 142.95 38.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.573 ' HA ' HD22 ' A' ' 64' ' ' LEU . 40.8 tp -62.94 -40.52 97.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.3 pt-20 -60.67 -39.1 87.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 2.5 m-20 -58.46 -52.03 67.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.879 HD21 HG21 ' A' ' 11' ' ' VAL . 14.1 mt -48.66 -45.86 39.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.46 -52.48 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -45.45 -57.82 3.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 28.9 mmmt -55.54 -63.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -46.18 -28.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 42' ' ' GLY . 76.1 tttt -80.67 -32.66 35.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 36' ' ' LYS . 22.2 mt -76.28 -33.94 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.89 -44.33 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -95.7 -42.65 8.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 103.26 31.5 4.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.547 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.416 ' C ' ' HG3' ' A' ' 38' ' ' LYS . 21.8 mt-30 -152.08 154.67 36.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -82.95 38.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.44 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.1 ptp -49.75 155.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.13 163.38 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.8 mp -121.89 100.85 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.8 m80 -109.13 112.19 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.648 ' CB ' HD13 ' A' ' 82' ' ' ILE . 1.8 p90 -105.51 132.61 51.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.628 HG22 HG22 ' A' ' 55' ' ' VAL . 44.2 p -101.47 141.38 34.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.8 t-20 -92.33 -71.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -121.83 -70.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -132.28 30.25 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -141.3 172.24 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 HG22 ' A' ' 50' ' ' THR . 48.1 t -126.95 130.6 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -121.78 106.3 37.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 30' ' ' LEU . 7.6 mt -54.53 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -111.82 -46.69 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.495 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.3 p -111.53 162.35 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.603 ' NE2' HD23 ' A' ' 64' ' ' LEU . 45.3 tp60 -58.9 -47.6 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -40.76 -42.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -63.46 -52.84 59.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.603 HD23 ' NE2' ' A' ' 61' ' ' GLN . 20.9 tp -53.38 -56.19 18.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.25 -37.48 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -78.67 -20.83 49.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -87.93 -24.1 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 64' ' ' LEU . 79.2 t -86.05 -37.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.44 -34.78 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.774 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -74.5 -40.78 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 80' ' ' LEU . 7.5 tp -57.1 -49.64 75.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -62.36 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -54.08 -39.0 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -54.54 128.26 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.0 mm -86.29 -62.19 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -49.28 -51.72 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 ttp -61.68 135.81 57.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -99.61 -49.62 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 p -131.81 179.59 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.673 ' HB2' HD22 ' A' ' 71' ' ' LEU . 17.3 tp -91.44 96.97 10.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -60.91 126.91 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.801 ' C ' HD22 ' A' ' 83' ' ' LEU . 22.9 mm -124.05 150.21 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -128.47 105.07 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 13' ' ' PHE . 34.3 mt -74.86 125.88 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.2 t -127.43 117.16 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.7 mm . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 11' ' ' VAL . 98.6 t -110.13 87.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -51.48 111.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 9' ' ' VAL . 90.4 t -117.88 134.34 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 1.5 ttmp? -112.63 137.51 50.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE2' HD23 ' A' ' 22' ' ' LEU . 50.8 m-85 -107.02 157.62 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.535 ' HB2' HD13 ' A' ' 83' ' ' LEU . 11.5 mt-10 -151.87 130.43 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -158.26 114.78 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 46.35 40.66 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.49 -38.53 3.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.94 127.35 30.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.76 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.3 mmp_? -150.47 133.13 15.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.852 ' C ' HD22 ' A' ' 22' ' ' LEU . 69.6 mt -103.5 146.38 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.852 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.4 mm? -131.41 -178.8 5.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -138.75 111.91 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 63.1 m-85 -113.87 111.19 48.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 0.0 110.838 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.2 Cg_endo -69.77 117.01 4.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 62.4 mtt180 -52.37 146.34 16.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 144.76 77.46 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 -1.786 . . . . 0.0 112.351 -0.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.673 HG21 HG21 ' A' ' 9' ' ' VAL . 58.2 t -84.79 137.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -111.15 129.74 55.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 tp -54.18 -41.43 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -57.53 -50.94 71.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 11' ' ' VAL . 8.6 mt -51.53 -46.01 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -66.95 -55.46 14.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.05 -56.0 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 30.5 mmmt -52.13 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.19 -31.38 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -77.16 -31.42 55.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.2 mt -83.48 -27.84 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.13 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -90.27 -36.21 14.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.18 42.01 5.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -166.91 145.42 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -73.93 121.75 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.662 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.1 ptp -142.52 142.52 32.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 163.55 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -121.51 100.18 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -106.71 110.5 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.677 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 p90 -104.62 135.64 45.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.519 HG22 HG22 ' A' ' 55' ' ' VAL . 28.4 p -105.28 139.17 40.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -90.45 -62.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -132.84 -70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 54' ' ' LEU . 15.1 mt-10 -129.8 28.54 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 53' ' ' GLU . 72.7 mt -141.24 169.68 17.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 50' ' ' THR . 21.7 t -126.66 129.44 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.9 mp -119.0 106.01 44.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.7 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.22 99.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.5 p -108.42 -44.49 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -121.62 164.11 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -44.93 71.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -41.88 -47.17 4.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -60.82 -54.03 50.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.495 HD21 HG12 ' A' ' 28' ' ' VAL . 27.3 tp -53.46 -55.09 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.91 -37.39 31.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -80.58 -17.59 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -91.74 -22.63 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 HD12 ' A' ' 64' ' ' LEU . 85.1 t -88.5 -32.65 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -71.23 -37.5 72.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -68.42 -39.18 81.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.04 -51.04 70.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.19 -62.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 2.1 ptm85 -53.21 -34.94 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' CE1' ' A' ' 76' ' ' HIS . 8.6 t -74.32 97.9 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.38 -60.61 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' OG ' ' A' ' 74' ' ' SER . 6.8 p80 -44.04 -42.77 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.37 131.18 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -94.82 -41.67 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.0 p -153.29 179.21 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 49' ' ' TYR . 11.4 tp -101.93 91.2 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.591 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.4 ttmt -53.63 150.78 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.749 ' C ' HD22 ' A' ' 83' ' ' LEU . 21.8 mm -143.9 134.49 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.1 mm? -116.94 105.37 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.662 HD22 ' HG3' ' A' ' 45' ' ' MET . 6.5 mt -74.8 133.14 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' ILE . 83.4 t -128.21 116.33 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' VAL . 44.2 mm . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 26' ' ' ARG . 88.1 t -117.66 101.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.523 ' HG2' HG23 ' A' ' 21' ' ' ILE . 9.3 ttm180 -66.61 119.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.872 HG21 HD21 ' A' ' 33' ' ' LEU . 90.1 t -119.97 110.03 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -94.82 119.8 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 22' ' ' LEU . 27.4 m-85 -86.63 160.78 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.6 mt-10 -150.95 111.1 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -135.33 103.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 59.3 mtp85 52.46 54.97 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 -42.94 3.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -61.4 147.9 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 110.881 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 152.66 38.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -152.5 116.19 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.523 HG23 ' HG2' ' A' ' 10' ' ' ARG . 4.6 mp -84.05 133.12 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.62 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -119.28 172.18 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -138.41 115.41 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 36' ' ' LYS . 88.1 m-85 -123.52 112.55 29.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 111.05 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.8 mtp-105 -50.43 145.98 9.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.77 135.62 34.75 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.332 0.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.607 HG12 HD21 ' A' ' 64' ' ' LEU . 73.4 t -83.54 137.81 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -103.24 126.9 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.721 ' HA ' HD22 ' A' ' 64' ' ' LEU . 38.9 tp -50.87 -40.92 57.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -62.78 -39.58 94.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -58.29 -48.37 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.872 HD21 HG21 ' A' ' 11' ' ' VAL . 7.5 mt -54.7 -46.05 74.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -67.14 -55.79 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -43.12 -55.85 3.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HB3' HD21 ' A' ' 22' ' ' LEU . 6.8 mmmm -55.0 -64.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -44.17 -35.33 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.2 tttt -70.55 -37.81 74.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -75.86 -35.95 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.79 -49.75 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.25 -38.82 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.29 42.45 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -168.41 144.15 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.7 p -69.21 117.85 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.754 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.8 ptp -140.86 146.26 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.26 162.74 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -117.76 98.62 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -104.13 110.75 23.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.664 ' HB3' HD13 ' A' ' 82' ' ' ILE . 1.7 p90 -105.35 137.25 43.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 55' ' ' VAL . 30.8 p -103.75 144.01 32.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.0 t30 -96.91 -61.98 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.09 -70.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -130.99 28.2 4.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mt -143.16 166.55 24.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 50' ' ' THR . 21.3 t -121.95 131.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.2 mp -120.43 105.96 40.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 98.08 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.59 100.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.433 ' O ' HD21 ' A' ' 30' ' ' LEU . 41.0 p -109.84 -41.52 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.604 ' C ' HD22 ' A' ' 30' ' ' LEU . 63.0 p -118.47 160.21 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.613 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -54.88 -48.66 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -38.3 -43.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.85 -49.61 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 30' ' ' LEU . 25.6 tp -57.5 -55.28 36.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -51.08 -41.54 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.15 -18.34 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.07 -30.33 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 64' ' ' LEU . 57.6 t -80.63 -33.53 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.17 -36.28 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -72.97 -39.51 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 80' ' ' LEU . 5.1 tp -58.03 -51.33 70.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.25 -62.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -52.3 -40.65 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -56.63 121.74 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt -83.18 -49.83 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.545 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.0 p80 -60.13 -44.54 94.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.71 134.74 53.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -96.48 -54.25 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.7 p -134.05 174.36 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.526 ' HB2' HD22 ' A' ' 71' ' ' LEU . 25.5 tp -86.48 97.92 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -63.26 118.78 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.8 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.3 mm -116.83 149.32 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.8 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.2 mm? -127.2 107.68 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.754 HD13 ' SD ' ' A' ' 45' ' ' MET . 86.7 mt -75.34 124.86 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.85 122.97 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG23 ' HG3' ' A' ' 26' ' ' ARG . 89.9 t -104.32 100.99 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.2 108.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.857 HG21 HD21 ' A' ' 33' ' ' LEU . 93.5 t -112.86 118.7 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -99.99 131.69 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' HE1' HG21 ' A' ' 82' ' ' ILE . 40.0 m-85 -103.09 162.28 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -150.73 113.64 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.448 ' CE1' HG12 ' A' ' 86' ' ' ILE . 11.8 t-80 -135.55 118.66 16.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 46.94 49.83 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.0 -40.74 3.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.27 157.02 23.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.955 0.407 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 153.38 38.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -154.34 118.47 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.859 ' C ' HD22 ' A' ' 22' ' ' LEU . 58.3 mt -91.4 146.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.4 mm? -132.05 -179.56 5.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -138.66 110.11 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.7 m-85 -113.31 111.86 49.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.0 Cg_endo -69.77 115.7 4.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 25.5 mtm105 -54.42 146.96 30.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 136.51 39.13 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.345 -0.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.493 HG12 HD21 ' A' ' 64' ' ' LEU . 75.1 t -83.23 137.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -107.44 126.84 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.629 ' HA ' HD22 ' A' ' 64' ' ' LEU . 27.6 tp -49.35 -40.09 34.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.9 pt-20 -60.92 -43.66 98.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 23.4 m-20 -56.06 -51.79 66.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.857 HD21 HG21 ' A' ' 11' ' ' VAL . 10.1 mt -48.91 -43.67 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HG2' HD13 ' A' ' 47' ' ' LEU . 64.6 mtp85 -68.53 -54.06 19.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -43.86 -56.7 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 29.3 mmmt -52.89 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.05 -35.64 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.8 ttpt -73.42 -33.08 64.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.2 mt -77.19 -38.12 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -93.55 -36.01 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.05 27.85 19.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -150.37 149.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.5 m -78.06 114.4 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.426 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -134.63 150.15 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.41 ' C ' HD12 ' A' ' 47' ' ' LEU . 1.1 m-20 -73.59 163.51 27.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -119.57 100.84 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -107.23 110.8 22.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.89 141.48 37.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.525 HG22 HG22 ' A' ' 55' ' ' VAL . 22.4 p -112.13 117.84 33.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.73 -72.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -126.6 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -131.18 29.76 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -143.8 153.43 42.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.525 HG22 HG22 ' A' ' 50' ' ' THR . 65.6 t -103.95 138.64 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 9.4 mt -138.23 108.59 8.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 104.82 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 64' ' ' LEU . 6.1 mt -63.49 102.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.519 ' O ' HD21 ' A' ' 30' ' ' LEU . 32.0 p -121.97 -41.7 2.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -104.73 142.57 34.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -47.91 -44.51 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.49 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 30' ' ' LEU . 17.0 tp -59.39 -58.98 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.61 -43.03 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -76.75 -14.91 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.577 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -90.36 -30.9 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 HD12 ' A' ' 64' ' ' LEU . 72.7 t -79.1 -34.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.2 pt-20 -71.1 -37.76 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.6 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.65 -29.43 67.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -69.06 -46.77 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -58.37 -58.32 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.4 ptt85 -55.14 -28.06 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -62.35 129.33 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.78 -41.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.536 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.0 p80 -72.55 -49.67 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.7 mtp -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -126.02 -39.73 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.8 p -142.29 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 49' ' ' TYR . 23.2 tp -90.3 97.47 11.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.97 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.467 ' O ' HD13 ' A' ' 82' ' ' ILE . 71.6 tttt -63.24 126.94 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.805 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.4 mm -123.32 148.18 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.805 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.7 mm? -125.77 104.65 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 13' ' ' PHE . 29.7 mt -74.74 127.86 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.82 120.88 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.448 HG12 ' CE1' ' A' ' 15' ' ' HIS . 31.7 mm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.659 HG23 ' HG3' ' A' ' 26' ' ' ARG . 91.8 t -112.02 104.82 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -68.1 107.08 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.683 HG21 HD21 ' A' ' 33' ' ' LEU . 99.2 t -107.71 123.28 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -102.39 120.33 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CD2' HD23 ' A' ' 22' ' ' LEU . 44.2 m-85 -98.48 141.98 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -136.14 134.28 38.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.469 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.5 t-80 -157.46 122.94 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 41.59 44.25 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.58 -32.88 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' HIS . 29.5 mt-10 -62.61 130.14 43.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -123.07 139.65 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmt-85 -151.96 119.55 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.798 ' C ' HD22 ' A' ' 22' ' ' LEU . 82.7 mt -100.52 142.87 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.3 mm? -128.24 -176.86 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.39 112.5 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 80.8 m-85 -114.98 111.39 45.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.759 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.77 110.59 2.6 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HG3' HG23 ' A' ' 9' ' ' VAL . 65.4 mtm180 -49.5 146.44 6.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 145.48 79.57 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.405 HG23 ' HG2' ' A' ' 26' ' ' ARG . 44.6 t -87.9 141.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -108.61 129.37 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 59' ' ' THR . 64.6 tp -53.2 -45.24 68.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.77 -37.83 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.67 -46.17 89.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.683 HD21 HG21 ' A' ' 11' ' ' VAL . 8.4 mt -56.84 -48.56 77.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HG2' HD13 ' A' ' 47' ' ' LEU . 46.8 mtp180 -64.2 -48.69 74.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -46.39 -54.83 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 32.7 mmmt -56.57 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -80.7 -30.82 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.6 mt -82.21 -36.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.19 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -89.86 -40.79 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.39 42.31 4.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -167.45 149.74 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -75.25 117.72 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.673 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.6 ptp -141.75 142.35 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.97 163.43 24.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.27 105.52 11.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.6 m80 -110.59 110.46 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CB ' HD13 ' A' ' 82' ' ' ILE . 2.3 p90 -104.26 126.45 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 1.005 HG22 HG22 ' A' ' 55' ' ' VAL . 53.0 p -94.7 118.65 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 16.2 t-20 -63.5 -70.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -121.58 -59.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.07 -31.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.005 HG22 HG22 ' A' ' 50' ' ' THR . 52.3 t -129.55 130.66 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.0 mp -116.61 106.24 48.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.7 101.71 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' A' ' 64' ' ' LEU . 7.1 mt -62.97 101.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.53 ' O ' HD21 ' A' ' 30' ' ' LEU . 38.6 p -113.0 -44.96 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.499 ' C ' HD22 ' A' ' 30' ' ' LEU . 58.9 p -112.39 154.8 25.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.502 ' NE2' HD23 ' A' ' 64' ' ' LEU . 30.0 tp60 -52.64 -47.28 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -40.73 -44.03 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -63.35 -50.11 71.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.502 HD23 ' NE2' ' A' ' 61' ' ' GLN . 22.7 tp -54.54 -56.84 14.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.48 -38.89 31.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -79.02 -20.9 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -85.42 -29.06 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 64' ' ' LEU . 90.1 t -81.95 -34.92 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -72.26 -41.57 66.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -66.47 -29.1 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.78 -51.22 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.01 -54.5 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.6 ptt180 -58.04 -37.07 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -67.18 128.37 36.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.31 -47.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.468 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.5 p80 -55.94 -39.56 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -85.14 118.74 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -33.1 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.9 p -139.04 164.32 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 49' ' ' TYR . 16.9 tp -86.53 95.09 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -60.21 126.09 26.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.779 ' C ' HD22 ' A' ' 83' ' ' LEU . 31.7 mm -119.64 145.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.1 mm? -127.48 105.83 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.673 HD13 ' SD ' ' A' ' 45' ' ' MET . 50.5 mt -75.0 135.11 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.64 122.69 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.469 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.7 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 28' ' ' VAL . 69.1 t -106.3 99.9 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -62.05 106.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.813 HG21 HD21 ' A' ' 33' ' ' LEU . 87.7 t -112.68 125.81 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 32.6 ttmt -102.27 135.94 42.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 29.4 m-85 -107.44 157.52 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -149.46 123.2 9.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -158.22 125.71 5.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.64 24.97 12.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.82 -32.02 6.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.06 150.08 48.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 150.71 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -153.85 117.89 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 85.8 mt -97.84 128.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.954 HD12 ' HE2' ' A' ' 36' ' ' LYS . 2.3 mm? -110.68 -178.33 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -139.02 118.76 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 26.7 m-85 -118.1 111.12 39.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.97 2.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 28.7 mtm105 -51.66 146.56 13.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.3 Cg_endo -69.83 136.64 39.92 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.331 0.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 26' ' ' ARG . 60.5 t -85.32 139.93 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -111.15 126.8 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' HD22 ' A' ' 64' ' ' LEU . 62.0 tp -44.67 -50.61 9.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.08 -40.83 64.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -56.34 -50.49 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.813 HD21 HG21 ' A' ' 11' ' ' VAL . 10.2 mt -51.37 -47.91 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 47' ' ' LEU . 10.4 mtp-105 -66.0 -42.84 89.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -55.35 -51.79 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.954 ' HE2' HD12 ' A' ' 22' ' ' LEU . 7.5 mmmm -57.53 -60.14 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -49.16 -34.77 15.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.03 -34.75 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -49.57 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -88.02 -36.07 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.89 24.59 29.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -151.41 141.08 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -69.92 119.53 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.714 ' HG3' HD22 ' A' ' 84' ' ' LEU . 4.7 ptp -140.38 153.67 46.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.92 163.55 27.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.1 mp -122.11 101.38 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.4 m80 -107.69 110.63 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -103.56 140.95 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.618 HG22 HG22 ' A' ' 55' ' ' VAL . 37.9 p -108.08 143.35 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.1 t30 -94.31 -65.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.14 -68.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -133.03 24.96 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.3 mt -134.88 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 50' ' ' THR . 39.9 t -129.8 121.09 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.571 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -110.34 105.93 57.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 104.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -118.46 -34.51 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -123.03 157.74 32.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.603 ' NE2' HD23 ' A' ' 64' ' ' LEU . 32.1 tp60 -55.72 -48.7 74.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.26 -43.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.49 -52.11 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.603 HD23 ' NE2' ' A' ' 61' ' ' GLN . 24.2 tp -54.34 -55.11 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -52.17 -39.08 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -80.57 -21.93 41.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.684 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -83.67 -28.71 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 64' ' ' LEU . 89.2 t -80.56 -37.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.8 pt-20 -70.13 -38.19 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.684 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -68.03 -33.63 74.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.92 -52.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -51.72 -62.11 1.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 74' ' ' SER . 10.6 ptm180 -49.92 -39.64 40.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.9 m -62.49 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.9 mt -97.51 -48.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.414 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.7 p80 -59.91 -43.87 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ttp -72.28 104.12 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -69.49 -49.71 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.9 p -132.53 178.67 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 49' ' ' TYR . 18.3 tp -91.6 96.52 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -63.9 130.25 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.706 ' C ' HD22 ' A' ' 83' ' ' LEU . 30.4 mm -124.93 141.73 44.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.706 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.5 mm? -119.65 106.66 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.714 HD22 ' HG3' ' A' ' 45' ' ' MET . 84.4 mt -74.86 128.86 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.49 119.65 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -109.58 102.38 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -65.3 123.6 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.881 HG21 HD21 ' A' ' 33' ' ' LEU . 86.7 t -124.28 109.48 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -93.14 119.99 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.674 ' CE2' HD13 ' A' ' 22' ' ' LEU . 23.7 m-85 -88.92 160.47 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.9 mt-10 -151.3 116.0 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.559 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.7 t-80 -145.75 131.46 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 40.19 40.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.5 -35.55 3.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' HIS . 28.3 mm-40 -63.93 157.65 24.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG2' ' CG ' ' A' ' 14' ' ' GLU . 40.5 mtpt -144.31 153.73 42.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -154.48 116.22 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 22' ' ' LEU . 98.6 mt -89.68 136.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.674 HD13 ' CE2' ' A' ' 13' ' ' PHE . 10.0 mp -123.2 171.52 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -137.45 116.2 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 73.4 m-85 -124.4 111.33 28.19 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.665 0.745 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 20.6 mtm105 -51.31 146.72 11.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.73 136.3 38.02 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.36 -0.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -82.1 141.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.54 132.99 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.32 -45.7 83.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.94 -36.76 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.84 -49.71 75.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HG21 ' A' ' 11' ' ' VAL . 8.4 mt -54.29 -45.88 72.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 13.2 mtp-105 -68.63 -54.06 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -43.59 -58.01 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HB3' HD21 ' A' ' 22' ' ' LEU . 24.2 mmmt -53.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -43.48 -34.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -72.92 -35.74 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 19.8 mt -76.62 -36.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.18 72.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -88.59 -39.56 14.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.4 26.87 12.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -150.09 150.65 32.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -79.05 108.46 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.7 ptp -129.1 153.28 47.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.57 163.75 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -118.68 107.0 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -112.59 110.22 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.2 p90 -102.12 134.87 44.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 55' ' ' VAL . 55.2 p -104.23 136.78 43.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -88.95 -63.54 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 33.9 m-20 -129.83 -74.87 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' HD23 ' A' ' 54' ' ' LEU . 14.6 mt-10 -126.81 28.39 5.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 53' ' ' GLU . 86.3 mt -140.24 171.07 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 50' ' ' THR . 47.1 t -126.67 124.9 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.9 mp -113.07 105.81 55.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.1 Cg_endo -69.78 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.74 100.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.0 p -116.21 -38.39 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.8 p -118.35 157.1 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -51.7 -49.19 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.47 -42.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.65 -53.99 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.3 tp -52.26 -53.93 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.7 -42.18 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -77.01 -18.76 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -87.3 -30.44 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 64' ' ' LEU . 57.7 t -82.49 -36.57 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.99 -37.78 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.62 -41.78 87.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 80' ' ' LEU . 17.9 tp -60.28 -42.0 94.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.24 -57.76 7.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.34 -33.45 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -58.69 137.35 57.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.33 -53.92 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -60.59 -50.48 73.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -55.7 149.94 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.0 -50.71 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.2 p -134.48 174.75 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.477 ' HG ' HD11 ' A' ' 82' ' ' ILE . 23.6 tp -90.75 96.52 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 82' ' ' ILE . 74.8 tttt -62.63 125.64 24.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.647 ' C ' HD22 ' A' ' 83' ' ' LEU . 30.1 mm -123.88 137.44 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.647 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.1 mm? -115.71 105.36 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 37.7 mt -74.65 126.22 30.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.58 126.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.559 HG12 ' CE1' ' A' ' 15' ' ' HIS . 50.0 mm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.729 HG21 HG21 ' A' ' 28' ' ' VAL . 93.3 t -105.72 103.05 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -63.11 104.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.588 HG21 HD21 ' A' ' 33' ' ' LEU . 71.2 t -110.5 131.0 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -99.15 124.82 44.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HB3' HD11 ' A' ' 84' ' ' LEU . 13.6 m-85 -106.01 103.45 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -102.14 131.93 48.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.518 ' HB2' HD12 ' A' ' 84' ' ' LEU . 7.2 t-80 -147.72 112.3 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 11.9 mtm105 53.87 51.8 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.91 -39.41 3.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.28 159.59 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.93 147.45 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -149.9 116.42 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.751 ' C ' HD22 ' A' ' 22' ' ' LEU . 5.0 mm -88.99 135.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 ' HE2' ' A' ' 36' ' ' LYS . 3.1 mm? -124.85 -178.26 4.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -138.91 120.62 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 67.9 m-85 -121.44 111.24 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.694 0.759 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.1 Cg_endo -69.72 112.54 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 79.3 mtt180 -54.49 147.67 28.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.742 . . . . 0.0 110.821 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 129.81 15.3 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.305 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.729 HG21 HG21 ' A' ' 9' ' ' VAL . 59.0 t -72.13 134.36 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.642 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.8 139.19 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HA ' HD22 ' A' ' 64' ' ' LEU . 56.1 tp -59.59 -43.84 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.48 -38.03 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.09 -49.54 76.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 11' ' ' VAL . 15.5 mt -52.12 -46.29 65.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -65.53 -46.41 79.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -52.56 -52.66 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.848 ' HE2' HD12 ' A' ' 22' ' ' LEU . 4.9 mmmm -57.21 -59.95 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.34 -33.0 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' GLY . 57.0 tttt -74.98 -35.88 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.85 -34.62 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.93 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -93.13 -38.44 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 93.27 30.21 9.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -152.85 155.17 36.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 m -80.45 119.12 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.574 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -141.64 151.59 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.42 163.72 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.0 mp -118.04 111.51 19.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -116.44 110.53 18.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -105.29 136.15 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 55' ' ' VAL . 18.5 p -102.31 125.69 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.3 t30 -77.73 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -123.26 -75.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -126.76 -4.72 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -103.37 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 50' ' ' THR . 59.7 t -124.6 126.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -115.55 108.24 47.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 59' ' ' THR . 53.9 Cg_endo -69.78 96.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.71 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' PRO . 62.7 p -110.81 -45.59 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -110.32 154.52 23.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -53.12 -45.75 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -40.32 -45.3 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.64 -53.21 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' A' ' 30' ' ' LEU . 16.3 tp -51.42 -53.86 32.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.25 -37.78 48.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 70' ' ' LEU . 13.4 mtpt -75.7 -21.55 57.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -85.58 -35.69 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.3 -36.13 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.4 -42.88 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.547 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.37 -28.92 69.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 80' ' ' LEU . 33.8 tp -72.8 -40.56 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -64.96 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -84.27 -32.24 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -54.34 145.09 18.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.1 mt -109.07 -49.78 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.529 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.1 p80 -65.12 -47.05 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 ttp -63.65 140.23 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -97.77 -57.72 2.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 p -132.3 172.0 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 67' ' ' ALA . 14.8 tp -85.93 102.58 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -70.3 130.84 43.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.771 ' C ' HD22 ' A' ' 83' ' ' LEU . 39.9 mm -122.8 146.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.0 mm? -125.03 104.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.574 HD13 ' SD ' ' A' ' 45' ' ' MET . 25.8 mt -74.76 137.99 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.36 112.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.1 mm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 28' ' ' VAL . 91.3 t -99.69 110.41 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -70.22 114.8 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.728 HG21 HD21 ' A' ' 33' ' ' LEU . 85.1 t -119.36 126.39 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 7.4 ttmm -105.49 136.68 44.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.646 ' HE1' HG21 ' A' ' 82' ' ' ILE . 25.7 m-85 -108.45 156.03 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -146.12 127.6 15.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 2.2 t-80 -154.63 117.36 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 44.63 38.65 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.17 -32.91 5.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.16 136.01 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -132.63 142.83 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -154.76 120.42 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.809 ' C ' HD22 ' A' ' 22' ' ' LEU . 56.1 mt -96.38 146.91 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.2 mm? -131.33 179.72 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.78 113.48 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 57.6 m-85 -115.61 111.2 43.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.686 0.755 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.4 Cg_endo -69.74 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 44.5 mtm180 -53.92 146.97 25.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 136.05 36.97 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.386 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 9' ' ' VAL . 67.3 t -77.31 136.82 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -110.35 125.38 53.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 64' ' ' LEU . 53.1 tp -49.16 -50.34 38.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -51.75 -39.46 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.71 -53.11 61.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.728 HD21 HG21 ' A' ' 11' ' ' VAL . 12.2 mt -49.41 -47.63 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' HA ' ' A' ' 46' ' ' ASP . 50.6 mtp85 -65.23 -53.81 38.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -45.28 -53.21 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.2 mmmt -54.13 -64.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -49.1 -33.7 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -73.1 -34.62 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.52 -37.68 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.75 -49.71 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -87.87 -38.64 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.4 29.63 13.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -150.23 155.92 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 114.35 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.7 ptp -139.74 144.1 37.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HA ' ' NH2' ' A' ' 34' ' ' ARG . 7.6 t0 -73.41 163.57 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.9 105.8 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -108.53 110.47 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -102.18 134.55 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.656 HG22 HG22 ' A' ' 55' ' ' VAL . 41.6 p -98.95 117.54 33.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.6 t30 -67.15 -66.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -123.73 -70.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.8 -16.71 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.59 -179.46 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 50' ' ' THR . 39.8 t -128.0 133.13 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -120.21 105.66 41.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.42 101.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.5 p -116.51 -33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -126.77 160.1 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.642 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -54.71 -49.11 71.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -38.25 -45.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -65.51 -47.63 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.642 HD23 ' NE2' ' A' ' 61' ' ' GLN . 21.7 tp -58.63 -56.8 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.96 -39.21 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -77.65 -27.41 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.737 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -79.91 -27.98 39.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.467 HG23 HD12 ' A' ' 64' ' ' LEU . 99.1 t -81.38 -41.05 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.56 -36.75 83.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.737 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -67.62 -40.45 84.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 ' HE2' ' A' ' 77' ' ' MET . 6.8 tp -57.6 -45.51 85.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.89 -62.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -53.54 -31.24 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 t -68.54 113.02 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.0 mt -77.16 -47.03 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.556 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.4 p80 -61.31 -48.28 82.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.5 ' HE2' HD13 ' A' ' 71' ' ' LEU . 3.3 ttt -58.24 146.84 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -109.13 -46.49 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.6 p -143.56 171.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.6 tp -89.54 93.86 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -61.57 130.86 47.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.741 ' C ' HD22 ' A' ' 83' ' ' LEU . 18.9 mm -124.6 148.82 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -124.92 111.32 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.507 HD13 ' SD ' ' A' ' 45' ' ' MET . 59.5 mt -74.95 132.43 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 t -126.47 120.47 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.8 mm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 28' ' ' VAL . 89.6 t -114.96 98.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -67.71 102.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.89 HG21 HD21 ' A' ' 33' ' ' LEU . 77.8 t -104.41 131.93 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HE2' HD11 ' A' ' 21' ' ' ILE . 28.3 ttmt -106.94 121.56 44.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 84' ' ' LEU . 36.0 m-85 -102.95 105.2 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.14 125.64 51.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 t-80 -145.73 123.4 11.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 46.74 53.89 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.42 -38.63 2.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.02 151.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -146.93 129.55 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -135.84 116.04 13.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.667 HD11 ' HE2' ' A' ' 12' ' ' LYS . 67.2 mt -95.42 129.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.71 -176.26 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -137.9 110.43 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 71.2 m-85 -112.96 111.28 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.3 Cg_endo -69.72 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.602 ' HG3' HG23 ' A' ' 9' ' ' VAL . 69.5 mtm180 -47.54 148.28 2.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 142.92 72.25 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.371 -0.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 9' ' ' VAL . 46.2 t -86.95 143.83 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -116.41 133.48 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 64' ' ' LEU . 69.8 tp -50.44 -45.21 55.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.59 -40.17 90.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.17 -49.69 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.89 HD21 HG21 ' A' ' 11' ' ' VAL . 6.1 mt -54.07 -45.82 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HG2' HD13 ' A' ' 47' ' ' LEU . 60.7 mtp180 -67.63 -44.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -48.38 -56.19 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.6 mmtm -56.3 -60.41 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -33.13 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -76.9 -30.33 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 mt -83.7 -26.41 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.08 25.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -95.64 -46.32 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.57 35.34 2.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -157.32 153.11 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 37.61 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.479 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.3 ptp -49.1 146.84 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.85 163.78 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' A' ' 34' ' ' ARG . 11.1 mp -118.46 108.74 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -116.11 110.29 18.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -103.84 133.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.663 HG22 HG22 ' A' ' 55' ' ' VAL . 9.0 p -97.26 121.01 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 12.1 t-20 -68.01 -60.5 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -133.76 -58.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.4 -31.34 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 54' ' ' LEU . 24.0 mt -83.91 176.63 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 50' ' ' THR . 69.0 t -125.05 127.67 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.7 mp -112.88 106.87 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.8 101.58 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.66 100.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.2 p -115.21 -36.34 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 60.8 p -120.59 157.76 28.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.456 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.83 -49.31 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.73 -47.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.58 -46.2 89.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.456 HD23 ' NE2' ' A' ' 61' ' ' GLN . 22.1 tp -61.76 -57.7 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.52 -39.89 50.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.74 -16.73 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -90.26 -32.07 16.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.428 HG23 HD12 ' A' ' 64' ' ' LEU . 58.9 t -79.16 -34.02 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -71.13 -41.22 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -69.21 -32.18 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 80' ' ' LEU . 6.1 tp -63.25 -47.36 82.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.74 -56.67 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.43 -30.05 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 m -76.82 94.0 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.49 -58.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.444 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 4.9 p80 -43.64 -52.66 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 ttp -64.87 107.33 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -67.9 -54.3 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 p -131.77 174.8 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.614 ' HB2' HD22 ' A' ' 71' ' ' LEU . 12.4 tp -93.35 96.04 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.67 136.55 58.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.776 ' C ' HD22 ' A' ' 83' ' ' LEU . 32.8 mm -128.38 144.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.3 mm? -125.33 103.15 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 13' ' ' PHE . 9.2 mt -74.66 135.11 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.85 123.3 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.2 mm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 96.8 t -107.32 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.11 129.07 38.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.816 HG21 HD21 ' A' ' 33' ' ' LEU . 81.0 t -128.31 118.8 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.815 ' CE ' HD11 ' A' ' 21' ' ' ILE . 27.0 ttmt -94.08 121.81 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.753 ' CD2' HD13 ' A' ' 22' ' ' LEU . 9.4 m-85 -95.19 154.75 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' HB2' HD13 ' A' ' 83' ' ' LEU . 34.7 mt-10 -145.67 123.78 12.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -144.14 105.6 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 43.89 35.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.41 -39.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -61.94 127.06 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -122.41 144.53 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -150.12 117.39 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.815 HD11 ' CE ' ' A' ' 12' ' ' LYS . 7.2 mm -84.55 139.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 13' ' ' PHE . 6.8 mp -128.68 165.79 20.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -138.38 114.33 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 82.3 m-85 -119.78 115.4 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.1 Cg_endo -69.73 108.12 2.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HG2' HG23 ' A' ' 28' ' ' VAL . 20.7 mtp180 -45.65 146.8 1.71 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.69 136.78 40.32 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.367 -0.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.615 HG12 HD21 ' A' ' 64' ' ' LEU . 60.7 t -76.58 132.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HB2' ' CG ' ' A' ' 32' ' ' ASP . 27.5 mmtt -100.94 112.85 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 59' ' ' THR . 60.6 tp -42.21 -42.65 3.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.0 pt-20 -61.9 -42.0 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 3.7 m-20 -55.71 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.816 HD21 HG21 ' A' ' 11' ' ' VAL . 9.5 mt -49.83 -47.17 51.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HG2' HD13 ' A' ' 47' ' ' LEU . 75.6 mtp180 -67.8 -48.91 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -48.9 -53.76 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.625 ' HB3' HD21 ' A' ' 22' ' ' LEU . 27.5 mmmt -54.96 -64.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLY . 27.4 tttm -67.94 -36.19 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.12 -38.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.49 -47.3 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -89.65 -32.68 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 86.08 19.86 56.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -141.57 169.3 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 t -96.13 114.66 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.41 140.52 41.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.416 ' C ' HD12 ' A' ' 47' ' ' LEU . 7.1 m-20 -70.05 163.82 25.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -117.43 108.64 15.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -101.24 136.2 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 55' ' ' VAL . 17.7 p -103.9 140.08 38.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.1 t30 -89.92 -63.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -134.26 -65.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 54' ' ' LEU . 10.8 mt-10 -133.18 29.61 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 53' ' ' GLU . 87.0 mt -142.76 171.1 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 50' ' ' THR . 59.8 t -127.04 127.44 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -118.33 110.6 39.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 59' ' ' THR . 53.8 Cg_endo -69.78 92.16 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 64' ' ' LEU . 6.8 mt -50.98 92.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 57' ' ' PRO . 65.4 p -107.38 -42.66 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.1 p -114.32 151.5 32.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.575 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -47.39 -48.7 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -38.16 -45.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -49.25 74.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.615 HD21 HG12 ' A' ' 28' ' ' VAL . 18.3 tp -61.16 -56.61 18.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.95 -38.26 49.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -77.31 -21.49 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -84.6 -34.65 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.38 -35.09 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.4 pt-20 -74.93 -39.29 61.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -72.07 -25.34 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 80' ' ' LEU . 12.7 tp -70.27 -50.51 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.27 -58.05 8.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 13.3 ptm180 -55.23 -28.4 52.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.82 123.9 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.6 mt -87.64 -39.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.551 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.8 p80 -71.69 -43.5 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.9 mtp -68.86 140.55 55.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -96.78 -44.13 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.41 ' HA ' HD11 ' A' ' 71' ' ' LEU . 41.6 m -150.25 179.28 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 67' ' ' ALA . 22.8 tp -83.76 108.18 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.21 129.98 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.617 ' C ' HD22 ' A' ' 83' ' ' LEU . 17.2 mm -125.92 139.14 52.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.8 mm? -113.47 110.94 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -74.81 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.19 117.5 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -97.81 117.84 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -72.76 85.12 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 -174.96 16.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 p -62.63 154.37 29.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.819 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -62.47 96.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.82 91.91 0.15 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.56 177.31 5.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.0 104.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.9 ttm-85 -68.14 112.6 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.992 HG21 HD21 ' A' ' 33' ' ' LEU . 93.3 t -110.67 109.82 29.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' HD3' HD11 ' A' ' 21' ' ' ILE . 15.3 ttpp -86.58 126.41 34.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.1 m-85 -99.2 158.84 15.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.668 ' HB2' HD13 ' A' ' 83' ' ' LEU . 13.3 mt-10 -145.98 120.53 9.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -138.85 110.12 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 42.39 53.44 4.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' O ' ' CD ' ' A' ' 19' ' ' LYS . . . 89.25 -33.51 4.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -64.96 155.35 34.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' CD ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -137.67 148.52 45.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -149.94 116.7 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.519 ' C ' HD12 ' A' ' 22' ' ' LEU . 4.7 mm -92.35 141.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.712 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.1 mp -132.71 169.74 16.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -135.76 118.5 16.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 80.7 m-85 -126.52 111.39 23.08 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 112.66 3.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 74.9 mtt180 -49.4 148.96 4.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.5 Cg_endo -69.75 133.45 25.67 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.351 0.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.406 HG23 ' HG2' ' A' ' 26' ' ' ARG . 23.6 t -75.62 142.05 15.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -113.27 130.55 56.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.592 ' CA ' HD22 ' A' ' 64' ' ' LEU . 57.6 tp -54.45 -45.45 73.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.951 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.3 pt-20 -59.84 -38.46 82.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 0.6 OUTLIER -61.05 -49.64 76.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.992 HD21 HG21 ' A' ' 11' ' ' VAL . 7.1 mt -54.08 -48.74 70.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' HG2' HD13 ' A' ' 47' ' ' LEU . 58.9 mtp85 -64.86 -54.48 30.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -42.2 -60.12 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.573 ' HB3' HD21 ' A' ' 22' ' ' LEU . 25.8 mmmt -52.81 -64.25 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -43.53 -32.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.7 tttt -74.34 -35.7 63.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 17.7 mt -76.71 -38.12 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.83 -48.79 78.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -88.72 -38.13 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.14 20.96 37.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -144.5 151.71 39.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 90.7 p -75.25 115.33 14.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.463 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.9 ptp -137.66 146.02 43.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.1 163.44 25.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.5 mp -115.19 105.83 13.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 4.8 m80 -111.63 110.73 21.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -106.94 135.19 48.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 HG22 ' A' ' 55' ' ' VAL . 42.7 p -98.8 123.07 42.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.61 -60.38 2.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -132.12 -66.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.23 -23.98 4.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.5 mt -91.09 176.69 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 50' ' ' THR . 40.5 t -124.87 127.55 72.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.107 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.1 mp -115.58 106.6 50.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.593 0.711 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.73 102.1 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.327 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 63' ' ' ASP . 8.6 mt -59.62 96.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 74.4 p -108.51 -39.76 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.7 p -120.15 158.54 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -48.62 38.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -39.39 -43.0 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.458 ' HB3' HD23 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -65.18 -50.31 66.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.592 HD22 ' CA ' ' A' ' 30' ' ' LEU . 26.3 tp -60.12 -56.91 15.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -50.11 -37.44 34.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -76.16 -27.51 56.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.776 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -80.35 -32.7 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 64' ' ' LEU . 45.6 t -79.74 -35.61 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -74.05 -39.27 63.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.628 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.41 -30.67 66.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.974 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.9 tp -64.49 -55.77 18.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -51.56 -57.97 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 74' ' ' SER . 16.7 ptm180 -55.65 -42.2 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 2.3 m -62.84 123.29 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mm -84.72 -53.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.435 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.3 p80 -49.61 -51.73 35.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -62.35 129.29 40.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -90.58 -45.97 8.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.5 p -141.55 173.75 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.776 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.0 tp -85.37 96.7 9.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 tttp -61.81 121.52 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.849 ' C ' HD22 ' A' ' 83' ' ' LEU . 42.5 mm -118.25 152.36 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.849 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -130.77 104.38 7.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.463 HD22 ' HG3' ' A' ' 45' ' ' MET . 34.9 mt -74.88 128.97 36.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 44.3 t -130.9 122.94 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.0 mm -44.6 147.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -128.86 -60.99 1.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.86 -74.95 0.4 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.9 m -148.02 162.02 40.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.936 0.398 . . . . 0.0 110.879 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 91' ' ' GLN . 17.2 m -81.21 161.31 24.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.499 ' N ' HG22 ' A' ' 90' ' ' THR . 27.8 tp60 -112.68 -51.56 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.933 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.65 49.55 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.048 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.6 t -48.39 -19.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -90.59 91.81 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -46.41 145.41 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -148.96 147.54 24.37 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.648 0.737 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -174.13 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.702 2.268 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.7 t -169.81 139.82 2.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -119.53 63.66 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 94.61 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.2 t -171.58 128.94 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.3 t -89.16 96.46 10.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -151.23 128.12 10.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.88 0.371 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -155.37 108.28 2.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.29 49.27 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 p -91.59 114.82 27.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 69.66 44.0 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.66 179.3 3.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 167.33 15.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 86.9 t -108.47 110.56 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 13.8 ttm105 -75.35 126.36 30.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.766 HG21 HD21 ' A' ' 33' ' ' LEU . 94.4 t -126.26 109.06 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -88.56 128.57 35.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.773 ' CE2' HD13 ' A' ' 22' ' ' LEU . 15.5 m-85 -97.17 161.44 13.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -151.14 122.18 7.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.512 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.9 t-80 -150.69 132.83 15.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 39.13 28.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' HIS . . . 104.23 -37.12 3.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.521 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' HIS . 2.8 pt-20 -62.16 157.29 19.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 18' ' ' GLU . 50.1 mttt -143.3 147.7 35.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -146.68 118.17 7.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.429 ' C ' HD12 ' A' ' 22' ' ' LEU . 71.0 mt -90.19 136.06 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.773 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -123.42 168.92 11.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -135.39 116.58 14.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 85.6 m-85 -124.54 112.22 27.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 113.6 3.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.554 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 60.3 mtm180 -50.99 145.91 11.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.836 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 139.29 53.77 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.323 -0.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.9 141.0 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -110.06 128.32 55.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.556 ' CA ' HD22 ' A' ' 64' ' ' LEU . 60.1 tp -51.25 -45.19 61.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.06 -41.93 75.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.9 -49.29 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 HG21 ' A' ' 11' ' ' VAL . 7.4 mt -53.33 -48.73 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.458 ' HG2' HD13 ' A' ' 47' ' ' LEU . 39.4 mtp180 -65.69 -55.11 19.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -42.86 -58.58 2.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.542 ' HB3' HD21 ' A' ' 22' ' ' LEU . 22.5 mmmt -53.28 -64.18 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -44.76 -35.26 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 24.9 tttm -71.49 -35.41 70.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.5 mt -77.18 -38.26 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.48 74.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' CZ ' ' CD1' ' A' ' 84' ' ' LEU . 2.9 m-85 -87.78 -38.57 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.8 41.19 7.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -167.73 144.79 4.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 0.0 110.935 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.0 p -69.29 115.23 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.59 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.0 ptp -138.37 145.61 41.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.72 163.54 26.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.491 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.2 mp -118.16 104.84 11.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -110.58 110.7 21.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.7 p90 -104.26 132.5 50.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.717 HG22 HG22 ' A' ' 55' ' ' VAL . 39.1 p -99.07 121.88 41.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.431 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.7 t30 -69.89 -56.83 6.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -133.35 -63.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -129.48 -30.25 2.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 mp -81.83 -179.11 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.717 HG22 HG22 ' A' ' 50' ' ' THR . 45.7 t -130.4 131.44 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.4 mp -118.79 106.16 44.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.76 101.32 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.91 98.48 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 57' ' ' PRO . 65.0 p -111.48 -41.81 4.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -113.62 159.28 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' NE2' HD23 ' A' ' 64' ' ' LEU . 33.7 tp60 -56.48 -47.42 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -39.99 -42.71 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -51.94 58.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' CA ' ' A' ' 30' ' ' LEU . 30.1 tp -53.95 -55.58 25.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.8 -40.96 61.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -77.31 -19.03 56.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.528 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -88.32 -28.17 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 64' ' ' LEU . 87.8 t -81.74 -31.95 11.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 9.1 pt-20 -72.52 -39.24 67.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -68.61 -36.06 78.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 80' ' ' LEU . 5.6 tp -60.79 -50.81 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.5 -61.97 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -51.74 -38.02 53.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.401 ' HB3' ' CB ' ' A' ' 77' ' ' MET . 3.6 m -67.32 90.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -53.47 -46.24 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.468 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 7.2 p80 -62.59 -47.09 85.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.825 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.401 ' CB ' ' HB3' ' A' ' 74' ' ' SER . 0.5 OUTLIER -54.82 108.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -67.5 -50.33 59.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 88.0 p -149.21 176.98 10.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB2' HD22 ' A' ' 71' ' ' LEU . 21.9 tp -86.15 95.82 9.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -61.12 125.86 25.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.846 ' C ' HD22 ' A' ' 83' ' ' LEU . 44.8 mm -121.08 151.91 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.846 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.5 mm? -131.12 103.87 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' HG3' ' A' ' 45' ' ' MET . 36.8 mt -74.72 124.95 27.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 72.3 t -122.04 120.43 61.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.512 HG12 ' CE1' ' A' ' 15' ' ' HIS . 34.4 mm -52.33 146.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -125.89 145.73 50.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -55.11 -78.58 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 t -50.91 161.9 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.95 0.405 . . . . 0.0 110.888 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.1 p -120.01 -46.61 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.172 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -156.35 123.32 5.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.05 86.27 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.9 m -59.7 -46.7 88.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -164.31 158.96 19.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.591 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -101.75 -41.06 6.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 95' ' ' LEU . 33.1 tt0 35.07 54.57 1.91 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.862 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.582 ' HG3' HD12 ' A' ' 95' ' ' LEU . 54.0 Cg_endo -69.72 106.0 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.695 2.264 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.7 p -163.7 156.72 18.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -134.0 85.33 0.27 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -9.82 27.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 m -51.46 96.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.4 m -59.11 114.53 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.487 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -130.44 130.67 44.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 t -68.32 99.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.13 -113.17 1.87 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -86.72 126.96 34.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 t -139.99 137.44 34.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.54 92.13 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -90.03 158.52 17.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.504 HG21 ' CG2' ' A' ' 28' ' ' VAL . 74.7 t -97.96 103.89 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 10' ' ' ARG . 9.0 ttm105 -66.08 113.39 4.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 33' ' ' LEU . 90.0 t -118.82 119.95 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -100.67 133.35 45.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' HE1' HG21 ' A' ' 82' ' ' ILE . 26.6 m-85 -105.17 154.9 19.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -148.2 117.96 7.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' O ' ' N ' ' A' ' 18' ' ' GLU . 2.2 t-80 -145.71 126.26 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 41.42 44.39 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.58 -32.6 4.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 15' ' ' HIS . 70.1 mt-10 -62.15 147.51 47.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -139.58 143.2 37.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -153.79 122.01 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.751 ' C ' HD22 ' A' ' 22' ' ' LEU . 40.1 mt -100.91 144.12 13.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.751 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.2 mm? -130.28 178.91 6.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -138.47 109.92 6.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.582 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 43.2 m-85 -113.01 114.47 48.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.75 115.56 4.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.722 2.281 . . . . 0.0 112.379 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 22.9 mtp180 -53.09 145.58 23.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.578 0.704 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 141.89 67.84 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.346 -0.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.504 ' CG2' HG21 ' A' ' 9' ' ' VAL . 98.5 t -84.87 133.1 30.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -102.78 122.81 45.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 47.7 tp -45.08 -51.27 10.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -52.48 -38.87 60.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -59.51 -48.64 80.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 11' ' ' VAL . 9.5 mt -55.35 -49.16 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.445 ' HG2' HD13 ' A' ' 47' ' ' LEU . 31.2 mtp180 -64.84 -45.34 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -51.75 -53.65 37.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 44.2 mmtt -53.86 -64.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.92 -36.03 11.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.056 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -70.72 -33.77 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.7 mt -78.42 -37.36 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -49.41 65.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -86.99 -38.19 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.15 39.94 5.6 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -167.38 143.83 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 m -73.54 117.39 15.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.645 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -136.29 151.15 49.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.74 163.42 27.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD13 ' HG2' ' A' ' 34' ' ' ARG . 10.4 mp -121.71 100.6 7.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -106.12 110.56 22.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.03 136.66 44.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.739 HG22 HG22 ' A' ' 55' ' ' VAL . 36.2 p -105.1 140.78 37.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -91.61 -62.34 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -131.72 -67.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -133.83 28.97 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.3 mt -141.77 168.85 18.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 50' ' ' THR . 61.3 t -124.57 128.39 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -117.98 106.04 46.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.644 0.735 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.429 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.81 100.01 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.465 HD21 ' HA ' ' A' ' 64' ' ' LEU . 8.7 mt -59.85 102.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 39.6 p -113.01 -44.63 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 67.5 p -112.58 157.88 20.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.539 HE21 HD23 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -55.22 -47.76 74.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -41.6 -43.11 2.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.78 -54.85 32.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD23 HE21 ' A' ' 61' ' ' GLN . 17.1 tp -50.23 -52.05 39.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -53.03 -40.25 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.827 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.5 mtpt -72.1 -26.56 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.52 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -81.82 -34.26 30.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.2 t -75.75 -39.69 39.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.3 pt-20 -68.4 -43.33 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.31 -34.76 78.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 80' ' ' LEU . 9.0 tp -61.17 -54.34 45.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -53.28 -60.34 3.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -55.62 -39.34 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 32.2 m -63.42 129.61 40.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.2 mt -89.52 -48.9 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.477 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.0 p80 -54.15 -44.22 71.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.829 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 6.9 ttp -84.63 112.53 20.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -79.82 -45.85 17.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.0 p -125.74 177.65 6.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.535 ' HB2' HD22 ' A' ' 71' ' ' LEU . 15.3 tp -97.0 97.77 9.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -64.14 125.64 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.806 ' C ' HD22 ' A' ' 83' ' ' LEU . 34.4 mm -121.46 144.46 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -124.22 105.17 9.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.645 HD13 ' SD ' ' A' ' 45' ' ' MET . 64.3 mt -74.91 131.82 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -127.61 122.07 58.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.53 HG22 ' H ' ' A' ' 88' ' ' GLY . 46.0 mm -53.73 136.97 14.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -117.73 41.7 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 86' ' ' ILE . . . 85.13 161.29 33.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.517 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 90' ' ' THR . 29.2 t -57.09 112.33 1.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.882 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 89' ' ' SER . 23.6 p -156.69 147.39 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.151 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -149.27 160.42 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.24 133.07 3.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.2 p -110.93 101.19 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -160.21 161.2 33.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.683 HD12 ' N ' ' A' ' 96' ' ' GLU . 1.6 pp -123.29 -42.33 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.683 ' N ' HD12 ' A' ' 95' ' ' LEU . 4.7 pt-20 -174.77 149.72 1.29 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 107.92 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.8 m -154.04 172.93 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 165.1 83.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 171.13 15.05 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.645 2.23 . . . . 0.0 112.34 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.6 p -162.76 152.71 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.9 t -124.59 115.25 20.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' GLY . 77.6 p 34.81 43.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.914 0.388 . . . . 0.0 110.904 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -62.35 -55.77 24.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.89 151.07 27.42 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.1 p -148.63 173.22 13.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 m -139.01 154.34 48.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.92 87.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.17 164.54 12.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.432 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 73.7 t -106.28 101.86 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -66.26 118.4 9.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.644 HG21 HD21 ' A' ' 33' ' ' LEU . 63.7 t -123.26 117.51 51.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.473 ' HE2' HD11 ' A' ' 21' ' ' ILE . 28.6 ttmt -98.32 132.3 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 21.4 m-85 -101.43 161.43 13.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -151.89 117.73 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.51 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.8 t-80 -147.5 130.63 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 45.03 33.99 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' CE ' ' A' ' 19' ' ' LYS . . . 93.38 -32.74 5.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.524 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.16 156.8 20.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -141.73 146.22 35.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -153.46 117.27 4.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.793 ' C ' HD22 ' A' ' 22' ' ' LEU . 81.9 mt -95.12 145.44 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.3 mm? -130.81 -179.84 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -138.59 111.88 8.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 74.3 m-85 -116.4 112.0 41.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.693 0.759 . . . . 0.0 110.879 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 115.47 4.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.696 2.264 . . . . 0.0 112.333 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.565 ' HG2' HG23 ' A' ' 28' ' ' VAL . 21.2 mtp180 -53.53 145.54 28.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.804 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.682 ' HB2' ' HZ1' ' A' ' 29' ' ' LYS . 53.5 Cg_endo -69.76 147.61 85.01 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.353 -0.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.565 HG23 ' HG2' ' A' ' 26' ' ' ARG . 40.9 t -90.17 141.1 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.682 ' HZ1' ' HB2' ' A' ' 27' ' ' PRO . 11.1 mmtm -111.17 125.38 53.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 64' ' ' LEU . 53.9 tp -48.52 -43.28 35.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -59.53 -40.22 86.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.482 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 9.9 t0 -57.81 -55.37 35.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.644 HD21 HG21 ' A' ' 11' ' ' VAL . 9.8 mt -47.51 -47.49 27.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -64.56 -53.01 54.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -43.82 -59.75 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.585 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 23.0 mmmt -51.91 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -48.15 -32.93 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -73.23 -35.85 66.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.3 mt -77.59 -35.17 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.02 -50.97 64.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -88.55 -38.34 14.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.38 7.39 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -160.23 148.51 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 p -73.77 116.31 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.453 ' SD ' HD13 ' A' ' 84' ' ' LEU . 7.4 ptp -137.92 146.88 43.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.84 163.45 28.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -119.28 102.75 8.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -108.12 110.73 22.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CB ' HD13 ' A' ' 82' ' ' ILE . 1.8 p90 -105.75 128.42 53.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.913 HG22 HG22 ' A' ' 55' ' ' VAL . 31.0 p -95.89 125.94 40.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.168 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -70.82 -58.67 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -134.25 -59.25 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -130.35 -31.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.6 mt -82.26 178.64 8.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.913 HG22 HG22 ' A' ' 50' ' ' THR . 79.7 t -129.78 128.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -114.65 106.0 52.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.5 Cg_endo -69.7 100.91 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.67 2.246 . . . . 0.0 112.317 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.87 101.0 0.33 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 75.6 p -115.28 -41.25 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 51.4 p -111.9 153.26 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.178 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.505 HE21 HD23 ' A' ' 64' ' ' LEU . 2.1 tm0? -52.89 -46.92 68.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -42.6 -44.52 4.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -62.22 -49.71 74.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.3 tp -54.58 -56.46 18.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -51.45 -38.14 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -76.94 -20.47 56.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.18 -25.24 23.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -85.01 -30.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -75.68 -38.25 58.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.614 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -72.0 -30.72 65.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD22 ' HB2' ' A' ' 80' ' ' LEU . 6.9 tp -66.28 -51.14 60.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.22 -58.94 5.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 74' ' ' SER . 12.6 ptm180 -53.85 -39.67 65.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.466 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 3.3 m -58.86 117.87 5.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mp -81.97 -44.83 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.564 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.0 p80 -62.14 -40.51 96.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.464 ' HE3' ' HA ' ' A' ' 80' ' ' LEU . 2.3 ttp -76.19 132.51 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.21 -53.36 3.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.5 p -127.91 167.84 16.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.603 ' HB2' HD22 ' A' ' 71' ' ' LEU . 13.3 tp -85.05 104.22 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.2 tttp -67.58 122.64 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.804 ' C ' HD22 ' A' ' 83' ' ' LEU . 24.6 mm -120.14 145.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.804 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.5 mm? -125.44 105.55 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD13 ' SD ' ' A' ' 45' ' ' MET . 48.3 mt -74.83 126.83 31.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.8 t -124.87 122.22 62.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.51 HG12 ' CE1' ' A' ' 15' ' ' HIS . 28.9 mm -52.6 121.15 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -83.31 -61.65 1.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 136.89 -111.67 0.87 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.452 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.6 p -90.77 153.06 20.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.988 0.423 . . . . 0.0 110.827 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 56.0 m -113.45 92.75 4.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.428 ' OE1' ' HB3' ' A' ' 92' ' ' ALA . 0.2 OUTLIER -166.14 163.83 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.428 ' HB3' ' OE1' ' A' ' 91' ' ' GLN . . . -42.29 142.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 96.5 m -69.91 93.85 0.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -172.95 122.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -148.21 159.39 44.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -105.7 139.8 20.56 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 106.13 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.335 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.0 m -155.01 117.4 4.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.54 161.74 4.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -34.64 14.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.654 2.236 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.6 p -112.24 167.17 10.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 94.1 p -124.34 131.52 53.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.502 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -120.78 170.01 9.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -128.12 162.82 26.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.96 -108.2 0.22 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.7 p -97.69 86.88 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 t -95.01 121.52 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.93 125.33 1.01 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.27 174.18 11.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 95.2 t -114.17 94.71 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -61.13 125.42 23.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.76 HG21 HD21 ' A' ' 33' ' ' LEU . 87.0 t -125.92 105.7 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.565 ' HD2' HD11 ' A' ' 21' ' ' ILE . 24.9 tttt -85.4 123.34 30.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.681 ' CE2' HD13 ' A' ' 22' ' ' LEU . 16.0 m-85 -93.91 160.96 14.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -148.27 136.19 20.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -157.96 107.34 2.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 38.96 53.61 2.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.82 -39.16 2.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.77 145.09 53.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -143.54 147.66 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -153.76 116.96 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.565 HD11 ' HD2' ' A' ' 12' ' ' LYS . 68.8 mt -90.78 131.71 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.1 mp -117.9 169.95 9.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -137.55 111.4 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 85.4 m-85 -118.95 112.05 36.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 109.8 2.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.641 ' HG2' HG23 ' A' ' 28' ' ' VAL . 26.7 mtp180 -46.14 148.07 1.63 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.3 Cg_endo -69.7 140.01 57.82 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.387 -0.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.699 HG12 HD21 ' A' ' 64' ' ' LEU . 93.5 t -83.99 140.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 32' ' ' ASP . 21.1 mmtp -112.85 114.11 26.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 59' ' ' THR . 21.9 tp -39.02 -47.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 32' ' ' ASP . 6.6 pt-20 -55.12 -43.05 73.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 31' ' ' GLU . 13.7 t0 -56.54 -51.59 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.76 HD21 HG21 ' A' ' 11' ' ' VAL . 6.7 mt -51.0 -47.31 61.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -64.45 -55.32 21.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -41.6 -60.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.537 ' HB3' HD21 ' A' ' 22' ' ' LEU . 24.2 mmmt -53.6 -64.08 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -45.01 -30.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 42' ' ' GLY . 30.1 tttm -77.88 -36.61 49.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 31.6 mt -74.84 -29.97 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.03 -48.43 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -90.11 -45.66 8.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 113.14 0.53 25.31 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -125.32 157.44 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.76 36.44 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.874 ' HG3' HD22 ' A' ' 84' ' ' LEU . 4.9 ptp -45.19 142.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.13 163.34 27.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.3 mp -117.79 103.25 9.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.433 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -111.71 110.6 21.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.723 ' HB3' HD13 ' A' ' 82' ' ' ILE . 1.9 p90 -103.65 139.61 38.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.574 HG22 HG22 ' A' ' 55' ' ' VAL . 12.8 p -108.41 135.01 50.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -86.54 -75.24 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -108.44 -75.47 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -131.95 13.29 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.1 mt -116.9 -177.77 3.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.574 HG22 HG22 ' A' ' 50' ' ' THR . 59.7 t -135.09 133.72 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.0 mp -128.24 109.34 19.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 106.64 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.716 2.278 . . . . 0.0 112.299 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.26 95.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.968 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.61 ' O ' HD21 ' A' ' 30' ' ' LEU . 20.0 p -106.97 -46.69 3.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 62.5 p -110.7 158.82 18.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -57.83 -43.03 85.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.58 -42.48 5.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -67.41 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.699 HD21 HG12 ' A' ' 28' ' ' VAL . 27.3 tp -56.25 -49.29 74.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.27 -40.66 74.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -75.27 -20.34 59.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -86.07 -32.02 21.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 64' ' ' LEU . 42.5 t -80.73 -42.92 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.085 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -63.93 -32.48 74.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -76.32 -32.06 58.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.12 -53.97 37.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -53.75 -54.33 39.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.66 -35.32 79.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.4 m -69.33 100.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.62 -52.09 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.504 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 3.2 p80 -45.91 -50.75 14.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.87 158.26 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -111.01 -55.34 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.9 p -136.79 176.83 8.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.47 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.6 tp -87.08 94.67 9.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -63.19 123.33 18.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.723 HD13 ' HB3' ' A' ' 49' ' ' TYR . 12.2 mm -122.24 143.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.687 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -117.89 106.65 13.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.874 HD22 ' HG3' ' A' ' 45' ' ' MET . 84.5 mt -74.93 117.0 16.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.6 127.87 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm -52.48 141.05 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.36 -44.96 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 105.46 -124.18 7.82 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.3 p -99.0 171.48 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.5 t -174.94 131.47 0.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -70.14 143.79 52.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.08 100.08 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.073 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 38.4 p -109.12 151.49 26.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.585 ' HB3' HD23 ' A' ' 95' ' ' LEU . 61.5 t30 -82.53 -45.65 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.585 HD23 ' HB3' ' A' ' 94' ' ' ASN . 1.4 pt? -167.35 144.56 4.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -90.67 136.63 27.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 127.91 15.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.7 p -150.18 164.36 35.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.81 71.42 0.28 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.46 6.4 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.369 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.5 t 51.06 41.28 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.6 p -145.03 125.41 13.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -70.99 163.69 27.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.37 . . . . 0.0 110.868 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -143.39 141.2 30.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.24 132.11 3.52 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 m -40.66 150.49 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.899 0.381 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 p -173.25 117.53 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.4 152.04 19.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.93 175.54 5.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.811 0.338 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.588 HG23 ' HG3' ' A' ' 26' ' ' ARG . 93.5 t -115.75 102.17 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -67.07 114.7 6.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.839 HG21 HD21 ' A' ' 33' ' ' LEU . 94.6 t -112.21 114.48 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.519 ' HD3' HD11 ' A' ' 21' ' ' ILE . 3.4 ttpm? -90.53 127.76 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.76 ' CE2' HD13 ' A' ' 22' ' ' LEU . 12.2 m-85 -98.32 158.97 15.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' HB2' HD13 ' A' ' 83' ' ' LEU . 7.8 mt-10 -150.31 121.0 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 84' ' ' LEU . 46.9 t-80 -147.81 112.36 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HD2' ' ND1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER 52.03 41.11 29.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.18 -35.62 4.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.06 150.8 37.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -132.21 149.04 52.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 41' ' ' PHE . 17.3 mmt180 -148.17 116.35 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.534 ' C ' HD12 ' A' ' 22' ' ' LEU . 5.4 mm -91.79 141.61 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD13 ' CE2' ' A' ' 13' ' ' PHE . 8.3 mp -133.25 166.71 21.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -133.7 115.89 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 22' ' ' LEU . 87.7 m-85 -124.03 111.36 28.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.725 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 110.08 2.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.666 2.244 . . . . 0.0 112.307 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.588 ' HG3' HG23 ' A' ' 9' ' ' VAL . 54.0 mtm180 -49.45 147.01 6.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 131.97 20.84 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.353 -0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG23 ' HG2' ' A' ' 26' ' ' ARG . 48.9 t -75.75 144.11 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -108.3 122.03 46.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.64 ' HA ' HD22 ' A' ' 64' ' ' LEU . 57.0 tp -50.23 -43.1 52.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -63.68 -39.69 94.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.63 -48.96 78.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.839 HD21 HG21 ' A' ' 11' ' ' VAL . 6.5 mt -53.29 -48.83 68.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -62.94 -54.55 36.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -44.8 -56.75 4.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.587 ' HB3' HD21 ' A' ' 22' ' ' LEU . 1.3 mmmp? -53.62 -64.17 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.444 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -42.98 -36.05 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.4 ttpt -69.99 -38.0 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 36' ' ' LYS . 18.6 mt -74.48 -38.67 46.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.31 65.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 32.9 m-85 -87.73 -36.22 17.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.67 26.34 17.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -151.7 148.03 27.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.938 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 m -75.82 120.75 21.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.669 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.9 ptp -142.34 150.52 40.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -77.04 163.66 26.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.1 mp -117.77 102.88 9.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.6 m80 -106.84 110.18 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -104.0 133.7 48.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.685 HG22 HG22 ' A' ' 55' ' ' VAL . 31.1 p -103.44 137.7 41.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.8 t30 -87.55 -72.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -120.37 -68.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -134.27 32.56 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mt -144.27 169.11 18.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.685 HG22 HG22 ' A' ' 50' ' ' THR . 56.4 t -122.34 134.4 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.6 mp -124.72 107.58 28.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.616 0.722 . . . . 0.0 111.134 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.3 Cg_endo -69.75 94.59 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.721 2.281 . . . . 0.0 112.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -55.93 98.69 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.417 ' C ' HD21 ' A' ' 30' ' ' LEU . 18.7 p -116.36 -35.67 4.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.471 ' C ' HD22 ' A' ' 30' ' ' LEU . 67.6 p -115.27 157.81 23.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.5 -49.11 73.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -40.3 -42.56 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -64.62 -52.28 58.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD22 ' HA ' ' A' ' 30' ' ' LEU . 23.5 tp -57.7 -55.19 38.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -53.44 -38.04 63.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -77.18 -23.61 51.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -82.04 -37.13 26.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 64' ' ' LEU . 61.6 t -73.42 -36.81 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.01 -41.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.82 -32.8 72.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.511 HD22 ' HB2' ' A' ' 80' ' ' LEU . 9.6 tp -63.15 -54.87 30.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.28 -59.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.6 ptm180 -53.5 -42.89 67.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 4.2 t -52.41 134.04 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.3 mt -89.44 -54.09 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.458 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.5 p80 -59.38 -51.13 71.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -66.48 125.42 25.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -93.91 -48.76 6.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.3 p -125.98 175.25 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' HB2' HD22 ' A' ' 71' ' ' LEU . 14.6 tp -93.09 95.29 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.3 tttt -60.66 131.94 52.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.728 ' C ' HD22 ' A' ' 83' ' ' LEU . 28.0 mm -129.01 140.85 48.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.7 mm? -118.33 104.42 10.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.669 HD22 ' HG3' ' A' ' 45' ' ' MET . 78.6 mt -74.75 131.71 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.9 139.03 53.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.3 mm -67.02 134.38 30.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -115.56 -55.8 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 169.58 -140.21 5.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.4 p -113.82 141.46 47.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.917 0.389 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.9 m -129.98 134.94 47.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -98.17 40.97 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -139.86 128.14 22.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -139.65 141.45 37.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -171.96 162.91 6.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -171.66 134.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -75.47 141.8 73.65 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -172.06 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.632 2.222 . . . . 0.0 112.314 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -140.65 124.98 17.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -176.68 140.08 4.8 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 138.22 37.04 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 m -83.96 -61.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 t -51.41 130.99 28.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -114.03 -59.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m 62.68 41.7 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.95 -98.81 2.4 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -65.69 175.67 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -147.61 164.03 34.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.65 131.91 2.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -105.93 165.76 10.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.1 t -105.07 105.29 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -65.86 109.92 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.924 HG21 HD21 ' A' ' 33' ' ' LEU . 92.5 t -113.5 125.15 70.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 18.8 ttmt -105.56 132.85 51.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 37' ' ' ALA . 23.6 m-85 -104.38 153.69 20.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -143.64 130.63 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -154.69 105.38 2.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 45.88 42.04 8.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.07 -32.24 7.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.5 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.99 121.62 13.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.94 0.4 . . . . 0.0 110.876 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 mttp -122.48 139.26 54.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -154.41 120.21 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.784 ' C ' HD22 ' A' ' 22' ' ' LEU . 93.7 mt -98.25 145.74 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.143 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.784 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.1 mm? -131.8 179.6 5.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -139.08 111.24 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 67.2 m-85 -112.51 111.46 52.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.639 0.733 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.7 116.84 4.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.548 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 27.6 mtm105 -56.48 147.49 49.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.584 0.707 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.78 128.95 13.45 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.358 0.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 64.5 t -77.89 140.41 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -107.8 136.92 46.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.538 ' HA ' HD22 ' A' ' 64' ' ' LEU . 61.5 tp -56.73 -50.22 72.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.2 pt-20 -54.53 -38.4 66.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 14.1 t0 -57.79 -51.84 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.924 HD21 HG21 ' A' ' 11' ' ' VAL . 9.0 mt -51.11 -47.35 61.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HG2' HD13 ' A' ' 47' ' ' LEU . 49.1 mtp180 -65.74 -46.45 78.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 t -47.79 -56.88 6.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.578 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 31.9 mmmt -53.96 -64.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -45.04 -32.65 1.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 42' ' ' GLY . 31.6 tttp -76.81 -34.37 57.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.6 mt -75.75 -38.55 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.99 -48.15 69.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -87.16 -39.43 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.68 25.64 24.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.518 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -150.54 145.51 26.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.5 t -73.25 120.8 19.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.9 ' SD ' HD13 ' A' ' 84' ' ' LEU . 7.6 ptp -141.81 153.18 44.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -76.41 163.54 26.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.4 mp -121.19 99.68 6.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.435 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -105.29 110.68 23.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 67' ' ' ALA . 2.0 p90 -105.38 136.8 44.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.846 HG22 HG22 ' A' ' 55' ' ' VAL . 46.8 p -103.72 142.9 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -95.79 -66.05 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -128.46 -69.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -131.78 29.1 4.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.3 mt -145.38 163.26 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 50' ' ' THR . 73.5 t -118.1 132.97 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.57 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.6 mp -120.21 105.93 41.46 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.612 0.72 . . . . 0.0 111.173 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.435 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.72 97.45 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 9.2 mt -56.73 98.7 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 57' ' ' PRO . 49.0 p -110.64 -42.41 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.468 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.4 p -117.27 160.33 21.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -56.62 -46.8 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -40.71 -44.86 2.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.822 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -63.2 -52.89 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 30' ' ' LEU . 22.6 tp -52.33 -54.48 31.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -51.3 -38.17 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.44 -25.08 50.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -84.07 -27.93 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.062 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 64' ' ' LEU . 85.6 t -80.05 -38.86 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.0 pt-20 -65.21 -39.37 92.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -71.45 -27.34 63.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 14.9 tp -66.8 -46.98 73.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -58.52 -51.37 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -64.97 -38.75 92.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.2 p -66.74 115.07 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -80.77 -64.19 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -43.3 -38.83 2.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.471 ' HE2' ' HA ' ' A' ' 71' ' ' LEU . 3.2 ttt -67.52 96.37 0.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -54.34 -44.7 72.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.5 p -155.19 178.28 10.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.524 HD11 ' CD2' ' A' ' 49' ' ' TYR . 20.4 tp -84.49 96.54 9.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -63.77 130.66 45.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.778 ' C ' HD22 ' A' ' 83' ' ' LEU . 29.1 mm -124.18 145.51 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.6 mm? -123.55 105.75 10.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.9 HD13 ' SD ' ' A' ' 45' ' ' MET . 74.5 mt -74.82 131.83 41.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.1 t -130.22 119.66 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.1 mm -48.67 108.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -81.87 -57.88 3.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 157.53 174.54 27.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.3 t -72.34 100.13 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.992 0.425 . . . . 0.0 110.833 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.5 t -149.02 162.02 40.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -119.97 128.86 53.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -88.17 119.9 29.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.2 m -104.68 118.52 36.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.146 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -159.54 133.34 7.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 95' ' ' LEU . 1.5 pt? -101.9 171.33 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -125.06 91.78 48.68 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.6 0.714 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 159.98 51.4 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.7 t -161.98 139.43 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.82 83.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 174.12 10.04 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.6 m -115.24 176.33 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.5 p -174.49 142.73 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -39.19 -60.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -71.53 158.41 36.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.24 -101.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 t 55.84 43.19 28.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -124.55 101.56 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.09 92.81 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.09 171.86 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 11' ' ' VAL . 93.3 t -108.62 90.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.9 ttm-85 -53.8 130.87 38.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.861 HG21 HD21 ' A' ' 33' ' ' LEU . 42.3 t -132.44 109.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HE2' HD11 ' A' ' 21' ' ' ILE . 25.9 ttmt -92.45 114.45 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.744 ' CD2' HD13 ' A' ' 22' ' ' LEU . 13.4 m-85 -85.82 155.14 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -148.75 117.69 6.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -134.01 91.61 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 43.95 51.79 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.49 -41.41 2.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -62.13 116.01 4.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.365 . . . . 0.0 110.929 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -115.67 134.9 54.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -149.95 117.15 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.677 HD11 ' HE2' ' A' ' 12' ' ' LYS . 58.7 mt -90.64 138.72 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.744 HD13 ' CD2' ' A' ' 13' ' ' PHE . 8.1 mp -125.48 166.03 17.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -138.24 116.42 11.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.4 m-85 -121.4 113.45 32.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.668 0.747 . . . . 0.0 110.847 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.14 3.0 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.659 2.24 . . . . 0.0 112.338 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.5 mtp-105 -47.51 147.71 2.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.85 139.33 54.25 Favored 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.304 0.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.646 HG12 HD21 ' A' ' 64' ' ' LEU . 80.5 t -88.86 141.0 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.0 mmtp -112.74 136.8 51.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 64' ' ' LEU . 56.2 tp -57.53 -43.73 84.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.36 -37.55 86.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -48.03 83.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.833 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.861 HD21 HG21 ' A' ' 11' ' ' VAL . 5.9 mt -55.69 -50.1 71.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.657 ' HG2' HD13 ' A' ' 47' ' ' LEU . 72.4 mtp180 -61.32 -53.03 61.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -42.75 -56.67 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 1.3 mmmp? -54.9 -64.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -43.54 -32.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.3 tttt -75.88 -33.87 59.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt -77.64 -40.57 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.62 82.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.087 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -93.04 -21.18 19.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 72.22 12.4 76.17 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.987 ' HG3' ' HE3' ' A' ' 45' ' ' MET . 1.5 pt20 -137.86 133.71 34.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.748 0.309 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.5 p -65.97 129.11 38.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.987 ' HE3' ' HG3' ' A' ' 43' ' ' GLN . 3.6 ptp -150.45 146.09 26.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -71.37 163.68 27.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.657 HD13 ' HG2' ' A' ' 34' ' ' ARG . 10.1 mp -117.84 108.76 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.424 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -114.14 110.92 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.585 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.8 p90 -103.16 137.48 41.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.699 HG22 HG22 ' A' ' 55' ' ' VAL . 9.9 p -105.43 122.64 46.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.122 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -71.24 -62.18 1.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.461 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -125.8 -75.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.83 -15.5 7.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.97 -178.35 4.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 50' ' ' THR . 61.8 t -135.01 131.35 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.585 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 1.8 mp -121.73 110.22 33.66 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.618 0.723 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 105.46 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 30' ' ' LEU . 16.7 mt -61.96 91.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 p -106.83 -40.37 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 72.0 p -117.22 154.19 31.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.17 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -51.38 -46.77 62.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -40.24 -41.9 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.98 -49.46 65.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.646 HD21 HG12 ' A' ' 28' ' ' VAL . 33.1 tp -56.61 -53.53 56.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -54.51 -39.38 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -75.49 -20.8 58.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -87.5 -32.88 19.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 64' ' ' LEU . 69.2 t -79.37 -33.35 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.84 -36.11 70.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.568 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -74.21 -31.85 62.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 71' ' ' LEU . 3.4 tp -62.79 -49.22 75.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -57.51 -61.08 2.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -53.79 -30.34 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 87.6 p -82.81 113.04 20.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' HIS . 37.4 mm -73.57 -71.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ILE . 4.2 p80 -34.54 -42.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.1 tpp -59.42 108.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -63.22 -42.04 99.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.2 m -167.1 -178.69 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.562 HD11 ' HB1' ' A' ' 67' ' ' ALA . 17.2 tp -83.88 94.63 8.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -62.39 129.88 42.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.721 ' C ' HD22 ' A' ' 83' ' ' LEU . 17.1 mm -125.23 145.29 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.721 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.0 mm? -121.92 107.78 12.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' HG3' ' A' ' 45' ' ' MET . 56.6 mt -74.86 130.58 39.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.7 t -126.94 119.73 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.487 ' CD1' ' NE2' ' A' ' 43' ' ' GLN . 29.6 mm -49.6 132.35 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -102.49 -60.44 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 141.97 -141.78 11.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 t -77.82 136.89 38.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.0 t -128.7 137.81 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -140.06 138.01 35.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.28 118.21 27.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.0 t -109.11 152.64 24.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -82.28 44.76 0.89 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -145.22 128.25 16.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -88.66 143.9 32.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.626 0.727 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 104.7 1.35 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 p -94.11 122.13 36.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -44.77 125.92 6.58 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.85 17.97 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.0 t -132.97 -48.38 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -85.16 124.22 31.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -101.7 117.44 34.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -93.4 42.78 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.85 -112.46 4.89 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 p -101.83 -54.55 2.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.884 0.373 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.8 p -114.88 166.79 11.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.88 -76.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.96 175.41 10.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.506 HG22 ' HE ' ' A' ' 26' ' ' ARG . 83.9 t -115.8 90.09 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -56.27 126.75 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.812 HG21 HD21 ' A' ' 33' ' ' LEU . 93.9 t -124.82 116.94 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.511 ' HD3' HD11 ' A' ' 21' ' ' ILE . 17.9 ttpp -95.07 113.36 25.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.81 ' CE2' HD13 ' A' ' 22' ' ' LEU . 11.6 m-85 -85.38 157.8 20.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.545 ' HB2' HD13 ' A' ' 83' ' ' LEU . 7.6 mt-10 -151.29 119.15 6.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.3 t-80 -145.64 106.41 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 57.16 47.84 16.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.84 -46.29 2.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' GLU . 9.9 mm-40 -62.46 158.14 18.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.958 0.409 . . . . 0.0 110.869 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -147.69 161.1 41.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -150.14 116.43 5.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.511 HD11 ' HD3' ' A' ' 12' ' ' LYS . 5.2 mm -83.99 134.77 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.81 HD13 ' CE2' ' A' ' 13' ' ' PHE . 7.5 mp -127.76 167.27 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -137.78 116.31 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 79.5 m-85 -122.49 111.47 31.6 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 114.3 3.66 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.706 2.271 . . . . 0.0 112.387 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 78.1 mtt180 -50.14 146.93 7.75 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.678 0.751 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.76 131.44 19.29 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.328 -0.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 9' ' ' VAL . 90.5 t -78.97 135.77 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -105.2 135.16 47.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 64' ' ' LEU . 35.5 tp -59.54 -42.46 92.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.931 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 5.0 pt-20 -61.26 -35.58 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 1.2 m-20 -62.76 -46.47 87.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.812 HD21 HG21 ' A' ' 11' ' ' VAL . 7.4 mt -56.49 -47.44 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -65.59 -55.02 19.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -43.75 -57.2 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.62 ' HB3' HD21 ' A' ' 22' ' ' LEU . 6.6 mmmm -53.79 -64.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -45.08 -38.02 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' A' ' 42' ' ' GLY . 26.1 tttm -68.79 -36.28 78.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.9 mt -75.41 -38.76 40.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -49.03 77.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -90.47 -38.08 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 92.38 27.15 16.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -153.0 144.36 23.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.6 t -71.75 123.63 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.796 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.9 ptp -144.22 146.21 32.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -70.94 163.7 26.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.8 mp -120.02 99.84 6.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.3 m80 -106.04 110.81 23.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -103.33 136.12 43.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.737 HG22 HG22 ' A' ' 55' ' ' VAL . 43.7 p -105.78 138.41 42.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 9.4 t-20 -89.7 -71.78 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -120.17 -69.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 54' ' ' LEU . 17.2 mt-10 -133.28 30.33 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 53' ' ' GLU . 80.5 mt -140.04 173.0 11.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 50' ' ' THR . 72.3 t -127.86 127.07 67.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 4.0 mp -116.59 105.97 49.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.593 0.711 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.431 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.6 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.02 97.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 42.3 p -109.24 -44.24 3.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -112.14 160.6 17.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -58.04 -48.02 81.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -38.63 -43.94 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.94 -54.24 33.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 30' ' ' LEU . 24.5 tp -49.16 -51.69 30.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -55.12 -42.72 73.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -74.14 -21.62 59.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -82.57 -35.76 26.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.106 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 64' ' ' LEU . 65.4 t -76.03 -37.86 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -67.28 -43.74 81.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.596 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -65.09 -35.46 81.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 ' HB2' ' A' ' 80' ' ' LEU . 10.7 tp -60.06 -56.31 23.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -47.85 -59.96 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 74' ' ' SER . 15.3 ptm180 -52.87 -38.88 62.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.454 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.8 t -60.76 109.6 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.2 mt -73.53 -59.84 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -50.37 -52.15 39.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 ttt -57.92 133.43 55.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.07 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.8 m -131.1 -178.98 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.516 ' HB2' HD22 ' A' ' 71' ' ' LEU . 17.3 tp -83.77 102.37 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -69.12 126.07 28.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.749 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.9 mm -123.18 142.57 39.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.2 mm? -121.27 107.1 12.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.796 HD22 ' HG3' ' A' ' 45' ' ' MET . 38.2 mt -74.73 130.43 39.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.5 t -128.95 118.31 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.49 HG12 ' CE1' ' A' ' 15' ' ' HIS . 33.5 mm -49.74 140.77 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -122.09 -58.92 1.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.1 -111.76 0.94 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.4 p -89.29 158.53 17.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.851 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.5 t -168.69 144.12 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -136.65 139.32 41.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.37 146.21 46.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.6 p -136.92 140.77 42.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -117.34 89.34 3.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 96' ' ' GLU . 6.7 tp -170.57 154.7 4.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.438 ' N ' ' HG ' ' A' ' 95' ' ' LEU . 38.0 mt-10 -109.17 80.57 1.41 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.619 0.723 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 171.69 14.0 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.355 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.2 p -156.5 172.13 19.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 65.58 142.15 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 138.8 38.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.5 m -141.62 170.4 15.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.2 t -107.48 -52.95 2.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -84.26 42.15 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.823 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -38.93 -46.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.47 -81.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -122.49 169.59 10.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 m -121.59 86.73 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.64 146.78 18.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -118.61 159.98 22.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' CG2' HG21 ' A' ' 28' ' ' VAL . 84.0 t -98.96 101.91 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -64.32 111.51 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.879 HG21 HD21 ' A' ' 33' ' ' LEU . 87.4 t -114.58 120.53 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -98.07 132.09 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.744 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 17.3 m-85 -102.08 157.99 16.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -146.53 131.73 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.923 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -157.01 117.11 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 42.9 43.38 3.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.64 -34.25 4.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -62.03 145.82 52.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -136.02 149.1 48.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.8 mmt85 -157.22 116.28 3.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.544 ' C ' HD22 ' A' ' 22' ' ' LEU . 72.4 mt -96.59 128.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.593 HD23 ' CE2' ' A' ' 13' ' ' PHE . 2.7 mm? -111.55 -179.04 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -139.27 115.52 10.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 33' ' ' LEU . 53.3 m-85 -118.57 110.69 38.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.75 117.56 5.16 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.542 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 26.3 mtm180 -54.78 147.06 33.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.78 130.82 17.6 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.339 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.445 ' N ' ' HA ' ' A' ' 26' ' ' ARG . 85.8 t -80.34 138.09 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -108.73 142.95 38.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.573 ' HA ' HD22 ' A' ' 64' ' ' LEU . 40.8 tp -62.94 -40.52 97.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 6.3 pt-20 -60.67 -39.1 87.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 2.5 m-20 -58.46 -52.03 67.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.879 HD21 HG21 ' A' ' 11' ' ' VAL . 14.1 mt -48.66 -45.86 39.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -65.46 -52.48 52.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -45.45 -57.82 3.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 28.9 mmmt -55.54 -63.39 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.744 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -46.18 -28.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 42' ' ' GLY . 76.1 tttt -80.67 -32.66 35.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 36' ' ' LYS . 22.2 mt -76.28 -33.94 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.89 -44.33 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -95.7 -42.65 8.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 103.26 31.5 4.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.547 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.416 ' C ' ' HG3' ' A' ' 38' ' ' LYS . 21.8 mt-30 -152.08 154.67 36.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.92 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -82.95 38.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.44 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.1 ptp -49.75 155.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.13 163.38 26.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.487 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.8 mp -121.89 100.85 7.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 83' ' ' LEU . 1.8 m80 -109.13 112.19 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.648 ' CB ' HD13 ' A' ' 82' ' ' ILE . 1.8 p90 -105.51 132.61 51.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.628 HG22 HG22 ' A' ' 55' ' ' VAL . 44.2 p -101.47 141.38 34.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.8 t-20 -92.33 -71.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -121.83 -70.38 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -132.28 30.25 4.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 78.1 mt -141.3 172.24 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.628 HG22 HG22 ' A' ' 50' ' ' THR . 48.1 t -126.95 130.6 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -121.78 106.3 37.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.601 0.715 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.1 Cg_endo -69.72 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 30' ' ' LEU . 7.6 mt -54.53 99.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 28.3 p -111.82 -46.69 3.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.495 ' C ' HD22 ' A' ' 30' ' ' LEU . 81.3 p -111.53 162.35 15.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.603 ' NE2' HD23 ' A' ' 64' ' ' LEU . 45.3 tp60 -58.9 -47.6 84.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -40.76 -42.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -63.46 -52.84 59.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.603 HD23 ' NE2' ' A' ' 61' ' ' GLN . 20.9 tp -53.38 -56.19 18.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -51.25 -37.48 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -78.67 -20.83 49.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -87.93 -24.1 23.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 64' ' ' LEU . 79.2 t -86.05 -37.27 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -68.44 -34.78 76.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.774 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -74.5 -40.78 61.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.673 HD22 ' HB2' ' A' ' 80' ' ' LEU . 7.5 tp -57.1 -49.64 75.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -56.27 -62.36 1.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -54.08 -39.0 65.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -54.54 128.26 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.0 mm -86.29 -62.19 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.7 p80 -49.28 -51.72 32.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.7 ttp -61.68 135.81 57.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -99.61 -49.62 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.5 p -131.81 179.59 5.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.673 ' HB2' HD22 ' A' ' 71' ' ' LEU . 17.3 tp -91.44 96.97 10.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.926 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.8 tttp -60.91 126.91 29.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.801 ' C ' HD22 ' A' ' 83' ' ' LEU . 22.9 mm -124.05 150.21 28.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.801 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -128.47 105.07 8.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 13' ' ' PHE . 34.3 mt -74.86 125.88 29.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 65.2 t -127.43 117.16 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 49.7 mm -42.15 149.97 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -125.15 173.35 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.3 -72.15 1.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 96.3 p -150.6 154.61 37.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.972 0.415 . . . . 0.0 110.849 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.0 m -105.94 139.13 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -117.18 104.31 11.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.24 118.09 31.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 t -115.68 40.83 2.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -144.11 121.32 11.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.62 113.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -44.05 139.42 3.08 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.73 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 133.61 26.03 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.368 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.9 p -104.4 -56.48 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -168.55 133.69 2.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.74 33.08 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.68 2.253 . . . . 0.0 112.343 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.8 t -47.72 -45.63 28.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.7 t -122.96 -44.03 2.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.813 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m 57.92 42.27 23.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 m -97.16 126.46 42.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.57 178.93 24.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -114.87 121.48 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' GLY . 68.1 m -144.95 115.87 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.72 137.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.464 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -81.44 169.12 17.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 11' ' ' VAL . 98.6 t -110.13 87.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -51.48 111.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 9' ' ' VAL . 90.4 t -117.88 134.34 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 1.5 ttmp? -112.63 137.51 50.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.548 ' CE2' HD23 ' A' ' 22' ' ' LEU . 50.8 m-85 -107.02 157.62 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.535 ' HB2' HD13 ' A' ' 83' ' ' LEU . 11.5 mt-10 -151.87 130.43 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -158.26 114.78 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mtp180 46.35 40.66 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.49 -38.53 3.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.94 127.35 30.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.32 141.76 49.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 2.3 mmp_? -150.47 133.13 15.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.852 ' C ' HD22 ' A' ' 22' ' ' LEU . 69.6 mt -103.5 146.38 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.852 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.4 mm? -131.41 -178.8 5.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -138.75 111.91 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 63.1 m-85 -113.87 111.19 48.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 0.0 110.838 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.2 Cg_endo -69.77 117.01 4.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.246 . . . . 0.0 112.376 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.553 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 62.4 mtt180 -52.37 146.34 16.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.56 0.695 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 144.76 77.46 Favored 'Cis proline' 0 C--O 1.232 0.183 0 C-N-CA 122.712 -1.786 . . . . 0.0 112.351 -0.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.673 HG21 HG21 ' A' ' 9' ' ' VAL . 58.2 t -84.79 137.46 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -111.15 129.74 55.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.7 tp -54.18 -41.43 68.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -60.15 -42.51 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -57.53 -50.94 71.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD21 HG21 ' A' ' 11' ' ' VAL . 8.6 mt -51.53 -46.01 63.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -66.95 -55.46 14.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -43.05 -56.0 3.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 30.5 mmmt -52.13 -63.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.19 -31.38 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -77.16 -31.42 55.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.2 mt -83.48 -27.84 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.87 -51.13 23.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -90.27 -36.21 14.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.18 42.01 5.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -166.91 145.42 5.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -73.93 121.75 21.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.662 ' HG3' HD22 ' A' ' 84' ' ' LEU . 7.1 ptp -142.52 142.52 32.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.99 163.55 9.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -121.51 100.18 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -106.71 110.5 22.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.677 ' CD2' HD11 ' A' ' 80' ' ' LEU . 1.8 p90 -104.62 135.64 45.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.519 HG22 HG22 ' A' ' 55' ' ' VAL . 28.4 p -105.28 139.17 40.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.105 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -90.45 -62.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -132.84 -70.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 54' ' ' LEU . 15.1 mt-10 -129.8 28.54 5.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 53' ' ' GLU . 72.7 mt -141.24 169.68 17.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.519 HG22 HG22 ' A' ' 50' ' ' THR . 21.7 t -126.66 129.44 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.122 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 2.9 mp -119.0 106.01 44.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.618 0.723 . . . . 0.0 111.148 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.7 101.57 0.92 Allowed 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.22 99.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 68.5 p -108.42 -44.49 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -121.62 164.11 17.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.93 -44.93 71.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -41.88 -47.17 4.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -60.82 -54.03 50.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.495 HD21 HG12 ' A' ' 28' ' ' VAL . 27.3 tp -53.46 -55.09 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.91 -37.39 31.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.796 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -80.58 -17.59 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.619 ' HB2' ' CZ ' ' A' ' 49' ' ' TYR . . . -91.74 -22.63 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.423 HG23 HD12 ' A' ' 64' ' ' LEU . 85.1 t -88.5 -32.65 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 8.4 pt-20 -71.23 -37.5 72.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.663 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -68.42 -39.18 81.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 tp -57.04 -51.04 70.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -57.19 -62.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.827 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 2.1 ptm85 -53.21 -34.94 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.445 ' OG ' ' CE1' ' A' ' 76' ' ' HIS . 8.6 t -74.32 97.9 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.5 mm -61.38 -60.61 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.445 ' CE1' ' OG ' ' A' ' 74' ' ' SER . 6.8 p80 -44.04 -42.77 6.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.1 tpp -58.37 131.18 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.3 mmtt -94.82 -41.67 9.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.0 p -153.29 179.21 8.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.677 HD11 ' CD2' ' A' ' 49' ' ' TYR . 11.4 tp -101.93 91.2 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.591 ' O ' HD13 ' A' ' 82' ' ' ILE . 1.4 ttmt -53.63 150.78 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.749 ' C ' HD22 ' A' ' 83' ' ' LEU . 21.8 mm -143.9 134.49 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.749 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.1 mm? -116.94 105.37 12.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.662 HD22 ' HG3' ' A' ' 45' ' ' MET . 6.5 mt -74.8 133.14 41.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 86' ' ' ILE . 83.4 t -128.21 116.33 41.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' VAL . 44.2 mm -38.15 139.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.04 137.71 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.47 -59.12 0.84 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.6 t -48.51 109.37 0.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.9 m -120.47 124.92 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -86.52 95.59 9.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.32 -46.39 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 14.1 t -145.51 140.99 27.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.147 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -85.47 -59.18 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.0 mt -142.15 136.81 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.456 ' CG ' ' HD2' ' A' ' 97' ' ' PRO . 11.5 tt0 -62.23 142.28 95.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' HD2' ' CG ' ' A' ' 96' ' ' GLU . 53.9 Cg_endo -69.77 114.3 3.66 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.265 . . . . 0.0 112.402 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.4 p -121.32 112.62 18.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -167.65 135.41 3.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -176.2 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.6 p -146.92 168.52 21.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 m -55.89 163.46 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.452 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 91.1 p -36.12 132.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.846 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -120.22 160.93 21.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.07 -175.4 22.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -95.77 148.33 22.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -92.9 142.35 27.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.37 103.94 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -94.66 176.06 6.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.826 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.507 HG23 ' HG3' ' A' ' 26' ' ' ARG . 88.1 t -117.66 101.46 11.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.523 ' HG2' HG23 ' A' ' 21' ' ' ILE . 9.3 ttm180 -66.61 119.63 12.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.872 HG21 HD21 ' A' ' 33' ' ' LEU . 90.1 t -119.97 110.03 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -94.82 119.8 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.62 ' CE2' HD13 ' A' ' 22' ' ' LEU . 27.4 m-85 -86.63 160.78 18.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 18' ' ' GLU . 7.6 mt-10 -150.95 111.1 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -135.33 103.4 5.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' O ' ' OE2' ' A' ' 18' ' ' GLU . 59.3 mtp85 52.46 54.97 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 -42.94 3.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.509 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -61.4 147.9 43.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 110.881 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 152.66 38.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -152.5 116.19 4.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.523 HG23 ' HG2' ' A' ' 10' ' ' ARG . 4.6 mp -84.05 133.12 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.62 HD13 ' CE2' ' A' ' 13' ' ' PHE . 9.6 mp -119.28 172.18 7.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -138.41 115.41 10.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 36' ' ' LYS . 88.1 m-85 -123.52 112.55 29.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.654 0.74 . . . . 0.0 110.862 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 111.05 2.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.341 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.551 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 9.8 mtp-105 -50.43 145.98 9.75 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.584 0.706 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.6 Cg_endo -69.77 135.62 34.75 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.332 0.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.607 HG12 HD21 ' A' ' 64' ' ' LEU . 73.4 t -83.54 137.81 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -103.24 126.9 50.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.721 ' HA ' HD22 ' A' ' 64' ' ' LEU . 38.9 tp -50.87 -40.92 57.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -62.78 -39.58 94.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -58.29 -48.37 80.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.872 HD21 HG21 ' A' ' 11' ' ' VAL . 7.5 mt -54.7 -46.05 74.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -67.14 -55.79 12.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -43.12 -55.85 3.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.543 ' HB3' HD21 ' A' ' 22' ' ' LEU . 6.8 mmmm -55.0 -64.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -44.17 -35.33 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 42' ' ' GLY . 41.2 tttt -70.55 -37.81 74.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.4 mt -75.86 -35.95 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.088 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.79 -49.75 69.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -89.25 -38.82 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.29 42.45 5.23 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -168.41 144.15 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 59.7 p -69.21 117.85 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.754 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.8 ptp -140.86 146.26 37.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.26 162.74 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.7 mp -117.76 98.62 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.0 OUTLIER -104.13 110.75 23.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.664 ' HB3' HD13 ' A' ' 82' ' ' ILE . 1.7 p90 -105.35 137.25 43.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.502 HG22 HG22 ' A' ' 55' ' ' VAL . 30.8 p -103.75 144.01 32.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.14 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 8.0 t30 -96.91 -61.98 1.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -133.09 -70.7 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -130.99 28.2 4.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mt -143.16 166.55 24.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.502 HG22 HG22 ' A' ' 50' ' ' THR . 21.3 t -121.95 131.37 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.583 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.2 mp -120.43 105.96 40.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.8 Cg_endo -69.76 98.08 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mt -58.59 100.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.433 ' O ' HD21 ' A' ' 30' ' ' LEU . 41.0 p -109.84 -41.52 4.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.604 ' C ' HD22 ' A' ' 30' ' ' LEU . 63.0 p -118.47 160.21 22.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.613 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -54.88 -48.66 72.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -38.3 -43.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -66.85 -49.61 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 30' ' ' LEU . 25.6 tp -57.5 -55.28 36.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -51.08 -41.54 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mttm -77.15 -18.34 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.07 -30.33 21.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 64' ' ' LEU . 57.6 t -80.63 -33.53 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.17 -36.28 79.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -72.97 -39.51 66.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.946 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 80' ' ' LEU . 5.1 tp -58.03 -51.33 70.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -55.25 -62.58 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -52.3 -40.65 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -56.63 121.74 10.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt -83.18 -49.83 16.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.545 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.0 p80 -60.13 -44.54 94.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.1 ttt -65.71 134.74 53.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -96.48 -54.25 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.7 p -134.05 174.36 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.526 ' HB2' HD22 ' A' ' 71' ' ' LEU . 25.5 tp -86.48 97.92 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -63.26 118.78 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.8 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.3 mm -116.83 149.32 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.8 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.2 mm? -127.2 107.68 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.754 HD13 ' SD ' ' A' ' 45' ' ' MET . 86.7 mt -75.34 124.86 27.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.5 t -121.85 122.97 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 43.6 mm -54.55 107.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -87.53 -46.47 9.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.84 -67.59 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.9 m -174.56 136.63 0.45 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.927 0.394 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.8 m -81.93 131.84 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -113.38 120.33 40.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -98.33 89.66 4.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 40.5 m -105.9 127.15 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -160.5 125.13 3.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 96' ' ' GLU . 2.5 tt -160.48 131.22 5.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 95' ' ' LEU . 27.4 mt-10 -32.25 95.69 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.667 0.746 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' LEU . 53.7 Cg_endo -69.75 139.4 40.18 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.8 p -129.0 95.95 4.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.94 144.83 17.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.444 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 109.68 2.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.734 2.289 . . . . 0.0 112.354 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.6 t -83.61 124.94 31.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.1 m -132.1 175.84 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -126.36 -48.27 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t 52.15 42.3 30.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.11 143.56 9.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -157.59 143.11 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -127.59 -53.95 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.59 132.27 2.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -112.55 158.01 20.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.801 0.334 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG23 ' HG3' ' A' ' 26' ' ' ARG . 89.9 t -104.32 100.99 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -61.2 108.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.857 HG21 HD21 ' A' ' 33' ' ' LEU . 93.5 t -112.86 118.7 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 0.6 OUTLIER -99.99 131.69 45.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' HE1' HG21 ' A' ' 82' ' ' ILE . 40.0 m-85 -103.09 162.28 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -150.73 113.64 4.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.448 ' CE1' HG12 ' A' ' 86' ' ' ILE . 11.8 t-80 -135.55 118.66 16.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 46.94 49.83 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.0 -40.74 3.08 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -63.27 157.02 23.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.955 0.407 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 153.38 38.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -154.34 118.47 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.859 ' C ' HD22 ' A' ' 22' ' ' LEU . 58.3 mt -91.4 146.82 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.859 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.4 mm? -132.05 -179.56 5.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -138.66 110.11 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 68.7 m-85 -113.31 111.86 49.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.0 Cg_endo -69.77 115.7 4.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.257 . . . . 0.0 112.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.546 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 25.5 mtm105 -54.42 146.96 30.56 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.605 0.717 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.76 136.51 39.13 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.345 -0.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.493 HG12 HD21 ' A' ' 64' ' ' LEU . 75.1 t -83.23 137.07 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -107.44 126.84 53.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.629 ' HA ' HD22 ' A' ' 64' ' ' LEU . 27.6 tp -49.35 -40.09 34.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.9 pt-20 -60.92 -43.66 98.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 31' ' ' GLU . 23.4 m-20 -56.06 -51.79 66.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.857 HD21 HG21 ' A' ' 11' ' ' VAL . 10.1 mt -48.91 -43.67 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HG2' HD13 ' A' ' 47' ' ' LEU . 64.6 mtp85 -68.53 -54.06 19.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.2 t -43.86 -56.7 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.573 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 29.3 mmmt -52.89 -64.1 0.93 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.05 -35.64 5.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.082 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' GLY . 16.8 ttpt -73.42 -33.08 64.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.2 mt -77.19 -38.12 26.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.19 -45.26 89.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -93.55 -36.01 12.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 90.05 27.85 19.83 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -150.37 149.2 29.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.5 m -78.06 114.4 16.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.426 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -134.63 150.15 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' C ' HD12 ' A' ' 47' ' ' LEU . 1.1 m-20 -73.59 163.51 27.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -119.57 100.84 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -107.23 110.8 22.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -105.89 141.48 37.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.525 HG22 HG22 ' A' ' 55' ' ' VAL . 22.4 p -112.13 117.84 33.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -58.73 -72.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -126.6 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -131.18 29.76 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -143.8 153.43 42.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.525 HG22 HG22 ' A' ' 50' ' ' THR . 65.6 t -103.95 138.64 27.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.577 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 9.4 mt -138.23 108.59 8.12 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.595 0.712 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.78 104.82 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.368 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD21 ' HA ' ' A' ' 64' ' ' LEU . 6.1 mt -63.49 102.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.519 ' O ' HD21 ' A' ' 30' ' ' LEU . 32.0 p -121.97 -41.7 2.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.0 p -104.73 142.57 34.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -47.91 -44.51 29.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.23 -46.49 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.02 -48.53 81.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD22 ' HA ' ' A' ' 30' ' ' LEU . 17.0 tp -59.39 -58.98 6.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -51.61 -43.03 62.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -76.75 -14.91 59.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.577 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -90.36 -30.9 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.417 HG23 HD12 ' A' ' 64' ' ' LEU . 72.7 t -79.1 -34.26 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.2 pt-20 -71.1 -37.76 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.6 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -68.65 -29.43 67.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.6 tp -69.06 -46.77 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -58.37 -58.32 9.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.4 ptt85 -55.14 -28.06 49.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.2 t -62.35 129.33 40.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -89.78 -41.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.536 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.0 p80 -72.55 -49.67 30.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.7 mtp -59.5 158.98 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -126.02 -39.73 2.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.8 p -142.29 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 49' ' ' TYR . 23.2 tp -90.3 97.47 11.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.97 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.467 ' O ' HD13 ' A' ' 82' ' ' ILE . 71.6 tttt -63.24 126.94 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.805 ' C ' HD22 ' A' ' 83' ' ' LEU . 19.4 mm -123.32 148.18 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.805 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.7 mm? -125.77 104.65 8.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.483 HD21 ' CD1' ' A' ' 13' ' ' PHE . 29.7 mt -74.74 127.86 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.6 t -125.82 120.88 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.448 HG12 ' CE1' ' A' ' 15' ' ' HIS . 31.7 mm -48.73 112.11 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -96.84 -56.65 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.3 -138.86 4.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.2 p -146.63 165.85 28.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 0.0 110.838 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.2 m 39.36 44.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.106 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -67.96 -48.99 64.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' THR . . . -129.18 -57.27 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 92' ' ' ALA . 10.3 t 35.02 37.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -78.78 157.77 28.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 113.03 5.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -86.59 119.31 71.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.693 0.759 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.89 8.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.262 . . . . 0.0 112.369 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.1 t -132.11 106.67 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 118.68 78.36 0.6 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -174.04 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.614 2.21 . . . . 0.0 112.381 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.9 p -170.18 159.7 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.834 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 103' ' ' GLY . 22.6 p -172.91 167.1 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -125.06 116.97 22.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 m -78.06 124.64 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.88 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.8 49.85 0.3 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -100.25 131.84 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.9 m -111.53 84.9 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.01 126.75 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.51 171.68 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.659 HG23 ' HG3' ' A' ' 26' ' ' ARG . 91.8 t -112.02 104.82 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -68.1 107.08 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.683 HG21 HD21 ' A' ' 33' ' ' LEU . 99.2 t -107.71 123.28 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -102.39 120.33 40.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CD2' HD23 ' A' ' 22' ' ' LEU . 44.2 m-85 -98.48 141.98 30.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.512 ' HB3' HD13 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -136.14 134.28 38.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.469 ' CE1' HG12 ' A' ' 86' ' ' ILE . 2.5 t-80 -157.46 122.94 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 41.59 44.25 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.58 -32.88 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' HIS . 29.5 mt-10 -62.61 130.14 43.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.967 0.413 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -123.07 139.65 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 mmt-85 -151.96 119.55 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.798 ' C ' HD22 ' A' ' 22' ' ' LEU . 82.7 mt -100.52 142.87 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.798 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.3 mm? -128.24 -176.86 3.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -138.39 112.5 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 80.8 m-85 -114.98 111.39 45.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.695 0.759 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.77 110.59 2.6 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.659 ' HG3' HG23 ' A' ' 9' ' ' VAL . 65.4 mtm180 -49.5 146.44 6.83 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.77 145.48 79.57 Favored 'Cis proline' 0 C--O 1.232 0.178 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.405 HG23 ' HG2' ' A' ' 26' ' ' ARG . 44.6 t -87.9 141.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -108.61 129.37 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 59' ' ' THR . 64.6 tp -53.2 -45.24 68.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' OE1' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.77 -37.83 88.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.67 -46.17 89.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.683 HD21 HG21 ' A' ' 11' ' ' VAL . 8.4 mt -56.84 -48.56 77.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HG2' HD13 ' A' ' 47' ' ' LEU . 46.8 mtp180 -64.2 -48.69 74.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -46.39 -54.83 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 24' ' ' PHE . 32.7 mmmt -56.57 -63.07 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.6 tttt -80.7 -30.82 36.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.6 mt -82.21 -36.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.162 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.07 -47.19 75.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -89.86 -40.79 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.39 42.31 4.92 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -167.45 149.74 5.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 m -75.25 117.72 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.673 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.6 ptp -141.75 142.35 33.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.97 163.43 24.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.27 105.52 11.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.6 m80 -110.59 110.46 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.601 ' CB ' HD13 ' A' ' 82' ' ' ILE . 2.3 p90 -104.26 126.45 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 1.005 HG22 HG22 ' A' ' 55' ' ' VAL . 53.0 p -94.7 118.65 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.178 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 16.2 t-20 -63.5 -70.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -121.58 -59.2 1.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.07 -31.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 34.7 mt -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.005 HG22 HG22 ' A' ' 50' ' ' THR . 52.3 t -129.55 130.66 67.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.564 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.0 mp -116.61 106.24 48.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.161 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.432 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.7 101.71 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.457 HD21 ' HA ' ' A' ' 64' ' ' LEU . 7.1 mt -62.97 101.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.53 ' O ' HD21 ' A' ' 30' ' ' LEU . 38.6 p -113.0 -44.96 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.499 ' C ' HD22 ' A' ' 30' ' ' LEU . 58.9 p -112.39 154.8 25.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.502 ' NE2' HD23 ' A' ' 64' ' ' LEU . 30.0 tp60 -52.64 -47.28 67.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -40.73 -44.03 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -63.35 -50.11 71.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.502 HD23 ' NE2' ' A' ' 61' ' ' GLN . 22.7 tp -54.54 -56.84 14.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -49.48 -38.89 31.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -79.02 -20.9 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.541 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -85.42 -29.06 24.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG23 HD12 ' A' ' 64' ' ' LEU . 90.1 t -81.95 -34.92 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -72.26 -41.57 66.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.542 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -66.47 -29.1 69.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -66.78 -51.22 58.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -56.01 -54.5 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 14.6 ptt180 -58.04 -37.07 73.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 m -67.18 128.37 36.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.5 mt -88.31 -47.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.468 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.5 p80 -55.94 -39.56 71.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.4 ttp -85.14 118.74 24.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.46 -33.1 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.9 p -139.04 164.32 30.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 49' ' ' TYR . 16.9 tp -86.53 95.09 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -60.21 126.09 26.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.779 ' C ' HD22 ' A' ' 83' ' ' LEU . 31.7 mm -119.64 145.3 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.779 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.1 mm? -127.48 105.83 8.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.673 HD13 ' SD ' ' A' ' 45' ' ' MET . 50.5 mt -75.0 135.11 41.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.6 t -128.64 122.69 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.469 HG12 ' CE1' ' A' ' 15' ' ' HIS . 24.7 mm -56.82 138.87 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -105.05 143.96 32.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -48.29 -77.75 0.11 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.447 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.7 p -155.01 139.24 16.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.8 t -99.13 135.87 39.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 53.0 tp60 -96.6 43.94 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 91' ' ' GLN . . . 68.26 42.28 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 92.0 m -51.35 -56.84 10.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -74.95 105.42 5.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.8 tp -114.17 116.66 29.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -104.51 135.53 19.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.663 0.744 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 172.41 12.76 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.384 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -171.91 152.07 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 124.31 88.64 0.81 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 174.6 9.23 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.383 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 35.4 t -87.67 131.99 34.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 21.0 t -165.05 156.27 14.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -41.62 124.07 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.383 . . . . 0.0 110.852 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -140.39 135.64 32.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.55 -130.31 2.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -143.44 174.54 10.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -60.48 163.93 4.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.25 93.6 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.05 168.5 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 28' ' ' VAL . 69.1 t -106.3 99.9 9.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -62.05 106.71 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.813 HG21 HD21 ' A' ' 33' ' ' LEU . 87.7 t -112.68 125.81 70.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 32.6 ttmt -102.27 135.94 42.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CZ ' ' HB2' ' A' ' 37' ' ' ALA . 29.4 m-85 -107.44 157.52 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -149.46 123.2 9.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -158.22 125.71 5.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 58.64 24.97 12.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.82 -32.02 6.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.437 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -68.06 150.08 48.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.898 0.38 . . . . 0.0 110.915 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 150.71 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -153.85 117.89 4.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.46 ' CG1' ' HG3' ' A' ' 12' ' ' LYS . 85.8 mt -97.84 128.13 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.954 HD12 ' HE2' ' A' ' 36' ' ' LYS . 2.3 mm? -110.68 -178.33 3.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -139.02 118.76 13.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.587 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 26.7 m-85 -118.1 111.12 39.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 109.97 2.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 28.7 mtm105 -51.66 146.56 13.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.3 Cg_endo -69.83 136.64 39.92 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 -1.799 . . . . 0.0 112.331 0.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.434 HG23 ' HG2' ' A' ' 26' ' ' ARG . 60.5 t -85.32 139.93 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt -111.15 126.8 55.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' HA ' HD22 ' A' ' 64' ' ' LEU . 62.0 tp -44.67 -50.61 9.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.08 -40.83 64.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -56.34 -50.49 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.813 HD21 HG21 ' A' ' 11' ' ' VAL . 10.2 mt -51.37 -47.91 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 47' ' ' LEU . 10.4 mtp-105 -66.0 -42.84 89.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 t -55.35 -51.79 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.954 ' HE2' HD12 ' A' ' 22' ' ' LEU . 7.5 mmmm -57.53 -60.14 4.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -49.16 -34.77 15.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.083 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -72.22 -34.04 68.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 20.6 mt -78.03 -34.75 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.69 -49.57 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -88.02 -36.07 17.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.89 24.59 29.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.439 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -151.41 141.08 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -69.92 119.53 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.714 ' HG3' HD22 ' A' ' 84' ' ' LEU . 4.7 ptp -140.38 153.67 46.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -74.92 163.55 27.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.1 mp -122.11 101.38 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.4 m80 -107.69 110.63 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.9 p90 -103.56 140.95 36.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.618 HG22 HG22 ' A' ' 55' ' ' VAL . 37.9 p -108.08 143.35 36.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.174 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.1 t30 -94.31 -65.86 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -127.14 -68.9 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -133.03 24.96 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.3 mt -134.88 172.96 12.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.618 HG22 HG22 ' A' ' 50' ' ' THR . 39.9 t -129.8 121.09 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.571 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -110.34 105.93 57.56 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.11 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.0 Cg_endo -69.75 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.236 . . . . 0.0 112.353 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.8 mt -56.85 104.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.9 p -118.46 -34.51 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 66.7 p -123.03 157.74 32.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.603 ' NE2' HD23 ' A' ' 64' ' ' LEU . 32.1 tp60 -55.72 -48.7 74.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -39.26 -43.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -64.49 -52.11 59.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.603 HD23 ' NE2' ' A' ' 61' ' ' GLN . 24.2 tp -54.34 -55.11 31.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -52.17 -39.08 59.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -80.57 -21.93 41.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.684 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -83.67 -28.71 28.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 64' ' ' LEU . 89.2 t -80.56 -37.3 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.8 pt-20 -70.13 -38.19 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.684 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -68.03 -33.63 74.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.92 -52.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -51.72 -62.11 1.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 74' ' ' SER . 10.6 ptm180 -49.92 -39.64 40.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 73' ' ' ARG . 1.9 m -62.49 136.88 58.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.9 mt -97.51 -48.39 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.414 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 6.7 p80 -59.91 -43.87 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.0 ttp -72.28 104.12 3.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -69.49 -49.71 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 79.9 p -132.53 178.67 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' ' 49' ' ' TYR . 18.3 tp -91.6 96.52 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -63.9 130.25 43.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.706 ' C ' HD22 ' A' ' 83' ' ' LEU . 30.4 mm -124.93 141.73 44.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.706 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.5 mm? -119.65 106.66 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.714 HD22 ' HG3' ' A' ' 45' ' ' MET . 84.4 mt -74.86 128.86 36.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -128.49 119.65 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 36.4 mm -50.88 131.9 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -119.08 -45.82 2.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 172.55 -178.97 44.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.5 t -51.76 -61.48 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.9 m -144.72 149.8 36.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 92' ' ' ALA . 6.7 pt20 -85.82 -36.53 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 91' ' ' GLN . . . -110.43 98.65 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 80.2 p -73.42 90.7 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -162.14 156.62 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 95' ' ' LEU . 3.6 mm? -107.87 -41.17 5.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -173.0 143.89 1.14 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.624 0.726 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 131.33 20.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 t -98.13 92.23 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.34 68.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 122.44 9.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.366 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -83.24 97.97 9.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 5.1 m -95.53 90.54 5.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 -179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -112.01 159.01 18.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -39.14 -50.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.64 -172.51 23.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -131.95 128.81 39.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 p -82.14 171.01 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.07 78.61 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.458 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -120.96 169.36 10.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -109.58 102.38 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -65.3 123.6 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.881 HG21 HD21 ' A' ' 33' ' ' LEU . 86.7 t -124.28 109.48 22.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -93.14 119.99 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.674 ' CE2' HD13 ' A' ' 22' ' ' LEU . 23.7 m-85 -88.92 160.47 17.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' HG2' ' A' ' 19' ' ' LYS . 8.9 mt-10 -151.3 116.0 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.559 ' CE1' HG12 ' A' ' 86' ' ' ILE . 1.7 t-80 -145.75 131.46 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 40.19 40.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.5 -35.55 3.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' HIS . 28.3 mm-40 -63.93 157.65 24.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.923 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' HG2' ' CG ' ' A' ' 14' ' ' GLU . 40.5 mtpt -144.31 153.73 42.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -154.48 116.22 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' C ' HD12 ' A' ' 22' ' ' LEU . 98.6 mt -89.68 136.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.674 HD13 ' CE2' ' A' ' 13' ' ' PHE . 10.0 mp -123.2 171.52 9.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -137.45 116.2 12.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.961 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 22' ' ' LEU . 73.4 m-85 -124.4 111.33 28.19 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.665 0.745 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 116.05 4.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 20.6 mtm105 -51.31 146.72 11.32 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.708 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.7 Cg_endo -69.73 136.3 38.02 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.36 -0.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -82.1 141.72 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -111.54 132.99 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.32 -45.7 83.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.94 -36.76 72.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.84 -49.71 75.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.881 HD21 HG21 ' A' ' 11' ' ' VAL . 8.4 mt -54.29 -45.88 72.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 13.2 mtp-105 -68.63 -54.06 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -43.59 -58.01 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.816 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.527 ' HB3' HD21 ' A' ' 22' ' ' LEU . 24.2 mmmt -53.7 -64.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . . . -43.48 -34.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -72.92 -35.74 67.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 36' ' ' LYS . 19.8 mt -76.62 -36.78 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.18 72.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -88.59 -39.56 14.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.4 26.87 12.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -150.09 150.65 32.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -79.05 108.46 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.7 ptp -129.1 153.28 47.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.57 163.75 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 9.9 mp -118.68 107.0 13.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.8 m80 -112.59 110.22 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.2 p90 -102.12 134.87 44.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.671 HG22 HG22 ' A' ' 55' ' ' VAL . 55.2 p -104.23 136.78 43.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 52' ' ' ASN . 0.9 OUTLIER -88.95 -63.54 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 51' ' ' ASN . 33.9 m-20 -129.83 -74.87 0.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' O ' HD23 ' A' ' 54' ' ' LEU . 14.6 mt-10 -126.81 28.39 5.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 53' ' ' GLU . 86.3 mt -140.24 171.07 14.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.671 HG22 HG22 ' A' ' 50' ' ' THR . 47.1 t -126.67 124.9 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.9 mp -113.07 105.81 55.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.637 0.732 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.434 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.1 Cg_endo -69.78 99.19 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.74 100.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.0 p -116.21 -38.39 3.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.177 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 76.8 p -118.35 157.1 27.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 48.8 tp60 -51.7 -49.19 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -38.47 -42.57 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.65 -53.99 33.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' VAL . 32.3 tp -52.26 -53.93 37.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -51.7 -42.18 62.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -77.01 -18.76 57.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -87.3 -30.44 20.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 64' ' ' LEU . 57.7 t -82.49 -36.57 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -68.99 -37.78 78.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.618 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.62 -41.78 87.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 80' ' ' LEU . 17.9 tp -60.28 -42.0 94.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.24 -57.76 7.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -60.34 -33.45 72.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.0 t -58.69 137.35 57.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.33 -53.92 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -60.59 -50.48 73.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.9 ttp -55.7 149.94 13.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.0 -50.71 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 52.2 p -134.48 174.75 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.477 ' HG ' HD11 ' A' ' 82' ' ' ILE . 23.6 tp -90.75 96.52 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.947 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.515 ' O ' HD13 ' A' ' 82' ' ' ILE . 74.8 tttt -62.63 125.64 24.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.647 ' C ' HD22 ' A' ' 83' ' ' LEU . 30.1 mm -123.88 137.44 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.647 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.1 mm? -115.71 105.36 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 37.7 mt -74.65 126.22 30.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 93.3 t -118.58 126.6 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.559 HG12 ' CE1' ' A' ' 15' ' ' HIS . 50.0 mm -56.75 134.3 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -105.39 -52.86 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -169.24 -172.88 36.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.542 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -109.75 94.35 4.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.388 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.2 t -171.21 134.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.68 149.22 25.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -162.19 132.17 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 68.2 p -137.38 106.45 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.495 ' H ' ' ND2' ' A' ' 94' ' ' ASN . 1.0 OUTLIER -85.79 113.64 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -112.03 118.35 35.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -157.17 119.04 2.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.9 p 43.07 41.49 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -147.37 84.49 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.518 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 172.66 12.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 54.2 p -114.68 170.44 8.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.2 p -125.84 148.12 49.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.447 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t -156.57 133.34 10.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 p -91.98 165.16 13.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.3 -101.21 0.2 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 m -52.23 -51.72 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.907 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 p -62.08 88.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.814 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.3 122.03 16.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.17 165.51 24.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.729 HG21 HG21 ' A' ' 28' ' ' VAL . 93.3 t -105.72 103.05 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -63.11 104.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.588 HG21 HD21 ' A' ' 33' ' ' LEU . 71.2 t -110.5 131.0 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -99.15 124.82 44.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' HB3' HD11 ' A' ' 84' ' ' LEU . 13.6 m-85 -106.01 103.45 12.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -102.14 131.93 48.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.518 ' HB2' HD12 ' A' ' 84' ' ' LEU . 7.2 t-80 -147.72 112.3 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 16' ' ' ARG . 11.9 mtm105 53.87 51.8 14.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.91 -39.41 3.03 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -62.28 159.59 14.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.93 147.45 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt-85 -149.9 116.42 5.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.751 ' C ' HD22 ' A' ' 22' ' ' LEU . 5.0 mm -88.99 135.77 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 ' HE2' ' A' ' 36' ' ' LYS . 3.1 mm? -124.85 -178.26 4.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -138.91 120.62 15.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 67.9 m-85 -121.44 111.24 33.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.694 0.759 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.1 Cg_endo -69.72 112.54 3.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.549 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 79.3 mtt180 -54.49 147.67 28.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.657 0.742 . . . . 0.0 110.821 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.73 129.81 15.3 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.305 -0.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.729 HG21 HG21 ' A' ' 9' ' ' VAL . 59.0 t -72.13 134.36 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.642 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -105.8 139.19 40.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.556 ' HA ' HD22 ' A' ' 64' ' ' LEU . 56.1 tp -59.59 -43.84 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.48 -38.03 79.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.09 -49.54 76.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 11' ' ' VAL . 15.5 mt -52.12 -46.29 65.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -65.53 -46.41 79.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -52.56 -52.66 53.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.848 ' HE2' HD12 ' A' ' 22' ' ' LEU . 4.9 mmmm -57.21 -59.95 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.34 -33.0 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 42' ' ' GLY . 57.0 tttt -74.98 -35.88 62.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.85 -34.62 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.93 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.052 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -93.13 -38.44 11.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 93.27 30.21 9.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -152.85 155.17 36.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 m -80.45 119.12 22.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.574 ' SD ' HD13 ' A' ' 84' ' ' LEU . 5.5 ptp -141.64 151.59 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.42 163.72 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.0 mp -118.04 111.51 19.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -116.44 110.53 18.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -105.29 136.15 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.553 HG22 HG22 ' A' ' 55' ' ' VAL . 18.5 p -102.31 125.69 49.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.3 t30 -77.73 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' OD1' ' A' ' 52' ' ' ASN . 1.6 p-10 -123.26 -75.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -126.76 -4.72 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.841 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.2 mt -103.37 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.553 HG22 HG22 ' A' ' 50' ' ' THR . 59.7 t -124.6 126.22 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -115.55 108.24 47.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.68 0.752 . . . . 0.0 111.103 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 59' ' ' THR . 53.9 Cg_endo -69.78 96.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -57.71 97.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' PRO . 62.7 p -110.81 -45.59 3.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 81.0 p -110.32 154.52 23.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -53.12 -45.75 68.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -40.32 -45.3 2.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.64 -53.21 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' HA ' ' A' ' 30' ' ' LEU . 16.3 tp -51.42 -53.86 32.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -51.25 -37.78 48.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' HD23 ' A' ' 70' ' ' LEU . 13.4 mtpt -75.7 -21.55 57.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -85.58 -35.69 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.8 t -76.3 -36.13 29.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -71.4 -42.88 67.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.547 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -66.37 -28.92 69.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 80' ' ' LEU . 33.8 tp -72.8 -40.56 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -64.96 -35.77 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -84.27 -32.24 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.9 p -54.34 145.09 18.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.1 mt -109.07 -49.78 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.529 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.1 p80 -65.12 -47.05 78.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.8 ttp -63.65 140.23 58.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -97.77 -57.72 2.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.8 p -132.3 172.0 13.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.467 HD11 ' HB1' ' A' ' 67' ' ' ALA . 14.8 tp -85.93 102.58 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -70.3 130.84 43.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.771 ' C ' HD22 ' A' ' 83' ' ' LEU . 39.9 mm -122.8 146.15 28.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.771 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.0 mm? -125.03 104.36 8.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.574 HD13 ' SD ' ' A' ' 45' ' ' MET . 25.8 mt -74.76 137.99 42.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.3 t -134.36 112.08 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.1 mm -40.65 135.12 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -148.65 134.55 19.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -75.27 -78.03 0.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.4 t -47.08 120.02 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.996 0.426 . . . . 0.0 110.828 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 91.3 m -123.02 129.04 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -158.01 122.72 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.64 148.04 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.047 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -161.81 137.6 7.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -113.25 120.53 41.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.465 HD23 ' HG3' ' A' ' 97' ' ' PRO . 15.7 tp -89.45 -60.46 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 97' ' ' PRO . 2.9 tm-20 48.71 54.94 16.85 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.628 0.728 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.465 ' HG3' HD23 ' A' ' 95' ' ' LEU . 54.1 Cg_endo -69.73 -177.21 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -93.29 160.65 14.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -165.74 83.71 0.1 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 91.58 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.8 m -63.57 -57.1 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 86.2 p -110.47 117.37 33.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -103.34 102.57 12.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.905 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -99.21 131.48 45.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.818 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.92 113.42 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -174.56 155.88 2.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.947 0.403 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -57.33 141.76 45.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.89 -51.49 0.46 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -87.88 161.58 17.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 28' ' ' VAL . 91.3 t -99.69 110.41 26.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -70.22 114.8 8.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.728 HG21 HD21 ' A' ' 33' ' ' LEU . 85.1 t -119.36 126.39 75.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HG3' ' CG1' ' A' ' 21' ' ' ILE . 7.4 ttmm -105.49 136.68 44.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.646 ' HE1' HG21 ' A' ' 82' ' ' ILE . 25.7 m-85 -108.45 156.03 19.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -146.12 127.6 15.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 2.2 t-80 -154.63 117.36 4.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.2 mtp180 44.63 38.65 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.17 -32.91 5.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -62.16 136.01 57.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -132.63 142.83 49.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -154.76 120.42 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.809 ' C ' HD22 ' A' ' 22' ' ' LEU . 56.1 mt -96.38 146.91 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.809 HD22 ' C ' ' A' ' 21' ' ' ILE . 3.2 mm? -131.33 179.72 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.78 113.48 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.586 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 57.6 m-85 -115.61 111.2 43.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.686 0.755 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.4 Cg_endo -69.74 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.697 2.265 . . . . 0.0 112.324 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' HA ' ' C ' ' A' ' 27' ' ' PRO . 44.5 mtm180 -53.92 146.97 25.92 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.613 0.72 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 53.9 Cg_endo -69.81 136.05 36.97 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.386 0.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.412 HG21 HG21 ' A' ' 9' ' ' VAL . 67.3 t -77.31 136.82 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.138 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -110.35 125.38 53.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 64' ' ' LEU . 53.1 tp -49.16 -50.34 38.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -51.75 -39.46 58.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -59.71 -53.11 61.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.728 HD21 HG21 ' A' ' 11' ' ' VAL . 12.2 mt -49.41 -47.63 47.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' HA ' ' A' ' 46' ' ' ASP . 50.6 mtp85 -65.23 -53.81 38.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 t -45.28 -53.21 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.586 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.2 mmmt -54.13 -64.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . . . -49.1 -33.7 12.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.6 tttt -73.1 -34.62 66.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 18.6 mt -77.52 -37.68 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.75 -49.71 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -87.87 -38.64 15.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.4 29.63 13.87 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.452 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -150.23 155.92 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.825 0.345 . . . . 0.0 110.928 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -81.73 114.35 20.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.507 ' SD ' HD13 ' A' ' 84' ' ' LEU . 6.7 ptp -139.74 144.1 37.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HA ' ' NH2' ' A' ' 34' ' ' ARG . 7.6 t0 -73.41 163.57 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 10.7 mp -118.9 105.8 11.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.0 m80 -108.53 110.47 21.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.578 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -102.18 134.55 45.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.656 HG22 HG22 ' A' ' 55' ' ' VAL . 41.6 p -98.95 117.54 33.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 6.6 t30 -67.15 -66.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -123.73 -70.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.8 -16.71 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.2 mt -94.59 -179.46 4.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.656 HG22 HG22 ' A' ' 50' ' ' THR . 39.8 t -128.0 133.13 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.578 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.3 mp -120.21 105.66 41.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.665 0.745 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 53.7 Cg_endo -69.76 98.19 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.42 101.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.5 p -116.51 -33.36 4.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 61.9 p -126.77 160.1 31.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.642 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -54.71 -49.11 71.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -38.25 -45.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -65.51 -47.63 75.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.642 HD23 ' NE2' ' A' ' 61' ' ' GLN . 21.7 tp -58.63 -56.8 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -48.96 -39.21 25.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -77.65 -27.41 50.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.737 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -79.91 -27.98 39.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.467 HG23 HD12 ' A' ' 64' ' ' LEU . 99.1 t -81.38 -41.05 18.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -66.56 -36.75 83.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.737 HD23 ' HA ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -67.62 -40.45 84.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.5 HD13 ' HE2' ' A' ' 77' ' ' MET . 6.8 tp -57.6 -45.51 85.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.89 -62.31 1.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -53.54 -31.24 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.7 t -68.54 113.02 5.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 27.0 mt -77.16 -47.03 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.556 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.4 p80 -61.31 -48.28 82.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.5 ' HE2' HD13 ' A' ' 71' ' ' LEU . 3.3 ttt -58.24 146.84 32.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -109.13 -46.49 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 72.6 p -143.56 171.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.6 tp -89.54 93.86 9.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -61.57 130.86 47.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.741 ' C ' HD22 ' A' ' 83' ' ' LEU . 18.9 mm -124.6 148.82 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.741 HD22 ' C ' ' A' ' 82' ' ' ILE . 3.4 mm? -124.92 111.32 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.507 HD13 ' SD ' ' A' ' 45' ' ' MET . 59.5 mt -74.95 132.43 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.6 t -126.47 120.47 56.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.8 mm -52.56 109.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -125.67 124.91 42.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -102.88 59.8 0.52 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.5 t -131.54 95.94 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.998 0.427 . . . . 0.0 110.824 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.5 p -112.84 97.57 6.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -73.52 -46.38 48.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 49.56 39.44 17.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.084 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.6 t -87.87 128.76 35.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.171 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.432 ' O ' ' CG ' ' A' ' 94' ' ' ASN . 0.7 OUTLIER -128.43 42.58 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.0 mt -150.65 168.07 25.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -152.7 150.15 24.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 149.75 67.35 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.2 t -101.56 51.18 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.77 -144.17 15.44 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -34.56 14.51 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.7 p 46.54 41.93 10.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.4 t -70.27 -50.79 35.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.7 m -82.87 152.98 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.842 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 p -121.75 82.66 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.77 102.0 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -89.2 -45.54 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -113.52 168.41 9.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.08 137.4 17.76 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.56 175.09 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 28' ' ' VAL . 89.6 t -114.96 98.74 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -67.71 102.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.89 HG21 HD21 ' A' ' 33' ' ' LEU . 77.8 t -104.41 131.93 52.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HE2' HD11 ' A' ' 21' ' ' ILE . 28.3 ttmt -106.94 121.56 44.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.689 ' HB3' HD11 ' A' ' 84' ' ' LEU . 36.0 m-85 -102.95 105.2 15.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.14 125.64 51.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 84' ' ' LEU . 1.7 t-80 -145.73 123.4 11.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 46.74 53.89 9.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.42 -38.63 2.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -62.02 151.74 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.928 0.394 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -146.93 129.55 16.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -135.84 116.04 13.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.667 HD11 ' HE2' ' A' ' 12' ' ' LYS . 67.2 mt -95.42 129.08 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -112.71 -176.26 2.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -137.9 110.43 7.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 36' ' ' LYS . 71.2 m-85 -112.96 111.28 50.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.675 0.75 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.3 Cg_endo -69.72 107.57 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.602 ' HG3' HG23 ' A' ' 9' ' ' VAL . 69.5 mtm180 -47.54 148.28 2.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.591 0.71 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.2 Cg_endo -69.73 142.92 72.25 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.371 -0.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 9' ' ' VAL . 46.2 t -86.95 143.83 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -116.41 133.48 55.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 64' ' ' LEU . 69.8 tp -50.44 -45.21 55.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.59 -40.17 90.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.17 -49.69 76.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.89 HD21 HG21 ' A' ' 11' ' ' VAL . 6.1 mt -54.07 -45.82 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.429 ' HG2' HD13 ' A' ' 47' ' ' LEU . 60.7 mtp180 -67.63 -44.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.3 t -48.38 -56.19 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.561 ' HG3' ' CE2' ' A' ' 24' ' ' PHE . 31.6 mmtm -56.3 -60.41 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.04 -33.13 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -76.9 -30.33 56.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 17.3 mt -83.7 -26.41 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.08 25.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.066 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -95.64 -46.32 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.57 35.34 2.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -157.32 153.11 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.58 37.61 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.479 ' HG3' HD22 ' A' ' 84' ' ' LEU . 5.3 ptp -49.1 146.84 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.85 163.78 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD13 ' HG2' ' A' ' 34' ' ' ARG . 11.1 mp -118.46 108.74 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 1.9 m80 -116.11 110.29 18.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.588 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 1.4 p90 -103.84 133.06 49.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.663 HG22 HG22 ' A' ' 55' ' ' VAL . 9.0 p -97.26 121.01 38.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.197 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 12.1 t-20 -68.01 -60.5 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -133.76 -58.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -131.4 -31.34 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 54' ' ' LEU . 24.0 mt -83.91 176.63 8.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.663 HG22 HG22 ' A' ' 50' ' ' THR . 69.0 t -125.05 127.67 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.588 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.7 mp -112.88 106.87 54.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.619 0.723 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HB3' ' NE2' ' A' ' 48' ' ' HIS . 54.2 Cg_endo -69.8 101.58 0.93 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.66 100.74 0.71 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.2 p -115.21 -36.34 4.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 60.8 p -120.59 157.76 28.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.456 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.83 -49.31 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -38.73 -47.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.58 -46.2 89.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.456 HD23 ' NE2' ' A' ' 61' ' ' GLN . 22.1 tp -61.76 -57.7 10.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -50.52 -39.89 50.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -77.74 -16.73 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HA ' HD23 ' A' ' 70' ' ' LEU . . . -90.26 -32.07 16.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.428 HG23 HD12 ' A' ' 64' ' ' LEU . 58.9 t -79.16 -34.02 16.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 11.9 pt-20 -71.13 -41.22 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -69.21 -32.18 71.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 80' ' ' LEU . 6.1 tp -63.25 -47.36 82.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -60.74 -56.67 18.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.43 -30.05 69.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.8 m -76.82 94.0 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.49 -58.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.444 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 4.9 p80 -43.64 -52.66 6.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.3 ttp -64.87 107.33 1.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.6 mttp -67.9 -54.3 19.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.4 p -131.77 174.8 9.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.614 ' HB2' HD22 ' A' ' 71' ' ' LEU . 12.4 tp -93.35 96.04 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -61.67 136.55 58.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.776 ' C ' HD22 ' A' ' 83' ' ' LEU . 32.8 mm -128.38 144.75 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.776 HD22 ' C ' ' A' ' 82' ' ' ILE . 2.3 mm? -125.33 103.15 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' ' 13' ' ' PHE . 9.2 mt -74.66 135.11 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 85.9 t -126.85 123.3 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 47.2 mm -51.55 104.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -74.43 110.44 8.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -44.84 -58.68 4.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 94.0 p -145.09 128.25 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.961 0.41 . . . . 0.0 110.817 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 t -130.81 152.11 50.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -86.32 161.07 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.15 -56.52 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.5 t -146.63 145.99 30.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -129.98 85.27 2.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.483 HD23 ' HD3' ' A' ' 97' ' ' PRO . 5.5 tt -160.72 132.51 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -135.67 104.6 9.96 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.594 0.711 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD3' HD23 ' A' ' 95' ' ' LEU . 53.8 Cg_endo -69.8 145.1 55.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.1 t -111.01 156.38 21.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -133.4 72.3 0.48 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -20.59 34.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.343 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 75.6 m -73.33 157.38 37.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 p -51.3 -44.61 61.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -113.14 82.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.847 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -126.06 103.99 8.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.25 -92.6 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -124.92 122.53 37.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.843 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -81.96 165.06 21.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.99 86.08 1.26 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.33 166.72 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 26' ' ' ARG . 96.8 t -107.32 93.88 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -56.11 129.07 38.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.816 HG21 HD21 ' A' ' 33' ' ' LEU . 81.0 t -128.31 118.8 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.815 ' CE ' HD11 ' A' ' 21' ' ' ILE . 27.0 ttmt -94.08 121.81 35.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.753 ' CD2' HD13 ' A' ' 22' ' ' LEU . 9.4 m-85 -95.19 154.75 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' HB2' HD13 ' A' ' 83' ' ' LEU . 34.7 mt-10 -145.67 123.78 12.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -144.14 105.6 4.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 43.89 35.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.41 -39.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -61.94 127.06 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -122.41 144.53 48.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mmm-85 -150.12 117.39 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.815 HD11 ' CE ' ' A' ' 12' ' ' LYS . 7.2 mm -84.55 139.76 17.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD13 ' CD2' ' A' ' 13' ' ' PHE . 6.8 mp -128.68 165.79 20.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -138.38 114.33 10.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HG3' ' A' ' 36' ' ' LYS . 82.3 m-85 -119.78 115.4 33.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 54.1 Cg_endo -69.73 108.12 2.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.319 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.603 ' HG2' HG23 ' A' ' 28' ' ' VAL . 20.7 mtp180 -45.65 146.8 1.71 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 26' ' ' ARG . 54.0 Cg_endo -69.69 136.78 40.32 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.367 -0.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.615 HG12 HD21 ' A' ' 64' ' ' LEU . 60.7 t -76.58 132.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HB2' ' CG ' ' A' ' 32' ' ' ASP . 27.5 mmtt -100.94 112.85 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 59' ' ' THR . 60.6 tp -42.21 -42.65 3.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 32' ' ' ASP . 7.0 pt-20 -61.9 -42.0 98.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' HB2' ' A' ' 29' ' ' LYS . 3.7 m-20 -55.71 -51.78 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.816 HD21 HG21 ' A' ' 11' ' ' VAL . 9.5 mt -49.83 -47.17 51.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.484 ' HG2' HD13 ' A' ' 47' ' ' LEU . 75.6 mtp180 -67.8 -48.91 64.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 t -48.9 -53.76 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.625 ' HB3' HD21 ' A' ' 22' ' ' LEU . 27.5 mmmt -54.96 -64.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.61 5.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 42' ' ' GLY . 27.4 tttm -67.94 -36.19 79.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.6 mt -77.12 -38.53 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.49 -47.3 76.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -89.65 -32.68 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 38' ' ' LYS . . . 86.08 19.86 56.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.5 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -141.57 169.3 17.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 t -96.13 114.66 26.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.41 140.52 41.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.416 ' C ' HD12 ' A' ' 47' ' ' LEU . 7.1 m-20 -70.05 163.82 25.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 33' ' ' LEU . 11.2 mp -117.43 108.64 15.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' NE2' ' HB3' ' A' ' 57' ' ' PRO . 2.1 m80 -113.46 110.21 19.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -101.24 136.2 41.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.565 HG22 HG22 ' A' ' 55' ' ' VAL . 17.7 p -103.9 140.08 38.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 51' ' ' ASN . 5.1 t30 -89.92 -63.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -134.26 -65.68 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.453 ' O ' HD23 ' A' ' 54' ' ' LEU . 10.8 mt-10 -133.18 29.61 4.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.828 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 53' ' ' GLU . 87.0 mt -142.76 171.1 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.565 HG22 HG22 ' A' ' 50' ' ' THR . 59.8 t -127.04 127.44 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 49' ' ' TYR . 3.8 mp -118.33 110.6 39.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.576 0.703 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 59' ' ' THR . 53.8 Cg_endo -69.78 92.16 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.643 2.228 . . . . 0.0 112.349 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 64' ' ' LEU . 6.8 mt -50.98 92.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 57' ' ' PRO . 65.4 p -107.38 -42.66 4.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.1 p -114.32 151.5 32.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.575 ' NE2' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -47.39 -48.7 25.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -38.16 -45.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -49.25 74.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.615 HD21 HG12 ' A' ' 28' ' ' VAL . 18.3 tp -61.16 -56.61 18.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -50.95 -38.26 49.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.3 mttt -77.31 -21.49 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 80' ' ' LEU . . . -84.6 -34.65 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.8 t -74.38 -35.09 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 14.4 pt-20 -74.93 -39.29 61.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -72.07 -25.34 61.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 80' ' ' LEU . 12.7 tp -70.27 -50.51 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -54.27 -58.05 8.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' LEU . 13.3 ptm180 -55.23 -28.4 52.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.834 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.82 123.9 20.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.6 mt -87.64 -39.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.551 ' H ' ' CD2' ' A' ' 76' ' ' HIS . 5.8 p80 -71.69 -43.5 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.9 mtp -68.86 140.55 55.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -96.78 -44.13 7.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.41 ' HA ' HD11 ' A' ' 71' ' ' LEU . 41.6 m -150.25 179.28 8.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 67' ' ' ALA . 22.8 tp -83.76 108.18 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -79.21 129.98 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.617 ' C ' HD22 ' A' ' 83' ' ' LEU . 17.2 mm -125.92 139.14 52.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.617 HD22 ' C ' ' A' ' 82' ' ' ILE . 1.8 mm? -113.47 110.94 21.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.1 mt -74.81 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.19 117.5 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.5 mm -53.36 133.24 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -93.57 -54.9 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.31 -97.39 0.11 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.0 t -167.57 106.54 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.836 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.5 p -120.11 110.73 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -102.9 118.4 36.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -129.54 131.49 46.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.9 t -104.65 -39.41 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -96.1 85.64 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 tt -127.08 81.62 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -173.36 135.95 0.7 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.707 0.765 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 155.33 66.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.385 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.0 m -48.33 -45.43 35.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 48.6 66.99 1.83 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.78 5.29 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.371 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 78.2 p -110.2 98.5 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 68.5 p -97.46 174.85 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.475 179.998 . . . . . . . . 0 0 . 1 stop_ save_